data_25829 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; p75NTR DD:RhoGDI ; _BMRB_accession_number 25829 _BMRB_flat_file_name bmr25829.str _Entry_type original _Submission_date 2015-09-30 _Accession_date 2015-09-30 _Entry_origination author _NMR_STAR_version 2.1.1 _Experimental_method NMR _Details . loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Lin Zhi . . 2 Ibanez Carlos F. . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 2 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 1403 "13C chemical shifts" 878 "15N chemical shifts" 257 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2015-12-21 original BMRB . stop_ loop_ _Related_BMRB_accession_number _Relationship 25828 'RIP2 CARD' 25833 'p75NTR DD:RIP2 CARD' stop_ _Original_release_date 2015-12-21 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; Structural basis of death domain signaling in the p75 neurotrophin receptor ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 26646181 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Lin Zhi . . 2 Tann Jason Y. . 3 Goh Eddy TH . 4 Kelly Claire . . 5 Lim Kim B. . 6 Gao Jian F. . 7 Ibanez Carlos F. . stop_ _Journal_abbreviation Elife _Journal_volume 4 _Journal_issue . _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 11692 _Page_last 11692 _Year 2015 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'p75NTR DD:RhoGDI' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label entity_1 $entity_1 entity_2 $entity_2 stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_entity_1 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common entity_1 _Molecular_mass 10172.424 _Mol_thiol_state 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 94 _Mol_residue_sequence ; GLYSSLPPAKREEVEKLLNG SAGDTWRHLAGELGYQPEHI DSFTHEACPVRALLASWATQ DSATLDALLAALRRIQRADL VESLCSESTATSPV ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 334 GLY 2 335 LEU 3 336 TYR 4 337 SER 5 338 SER 6 339 LEU 7 340 PRO 8 341 PRO 9 342 ALA 10 343 LYS 11 344 ARG 12 345 GLU 13 346 GLU 14 347 VAL 15 348 GLU 16 349 LYS 17 350 LEU 18 351 LEU 19 352 ASN 20 353 GLY 21 354 SER 22 355 ALA 23 356 GLY 24 357 ASP 25 358 THR 26 359 TRP 27 360 ARG 28 361 HIS 29 362 LEU 30 363 ALA 31 364 GLY 32 365 GLU 33 366 LEU 34 367 GLY 35 368 TYR 36 369 GLN 37 370 PRO 38 371 GLU 39 372 HIS 40 373 ILE 41 374 ASP 42 375 SER 43 376 PHE 44 377 THR 45 378 HIS 46 379 GLU 47 380 ALA 48 381 CYS 49 382 PRO 50 383 VAL 51 384 ARG 52 385 ALA 53 386 LEU 54 387 LEU 55 388 ALA 56 389 SER 57 390 TRP 58 391 ALA 59 392 THR 60 393 GLN 61 394 ASP 62 395 SER 63 396 ALA 64 397 THR 65 398 LEU 66 399 ASP 67 400 ALA 68 401 LEU 69 402 LEU 70 403 ALA 71 404 ALA 72 405 LEU 73 406 ARG 74 407 ARG 75 408 ILE 76 409 GLN 77 410 ARG 78 411 ALA 79 412 ASP 80 413 LEU 81 414 VAL 82 415 GLU 83 416 SER 84 417 LEU 85 418 CYS 86 419 SER 87 420 GLU 88 421 SER 89 422 THR 90 423 ALA 91 424 THR 92 425 SER 93 426 PRO 94 427 VAL stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date . save_ save_entity_2 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common entity_2 _Molecular_mass 19884.719 _Mol_thiol_state . _Details . _Residue_count 174 _Mol_residue_sequence ; AQKSIQEIQELDKDDESLRK YKEALLGRVAVSADPNVPNV VVTGLTLVCSSAPGPLELDL TGDLESFKKQSFVLKEGVEY RIKISFRVNREIVSGMKYIQ HTYRKGVKIDKTDYMVGSYG PRAEEYEFLTPVEEAPKGML ARGSYSIKSRFTDDDKTDHL SWEWNLTIKKDWKD ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 31 ALA 2 32 GLN 3 33 LYS 4 34 SER 5 35 ILE 6 36 GLN 7 37 GLU 8 38 ILE 9 39 GLN 10 40 GLU 11 41 LEU 12 42 ASP 13 43 LYS 14 44 ASP 15 45 ASP 16 46 GLU 17 47 SER 18 48 LEU 19 49 ARG 20 50 LYS 21 51 TYR 22 52 LYS 23 53 GLU 24 54 ALA 25 55 LEU 26 56 LEU 27 57 GLY 28 58 ARG 29 59 VAL 30 60 ALA 31 61 VAL 32 62 SER 33 63 ALA 34 64 ASP 35 65 PRO 36 66 ASN 37 67 VAL 38 68 PRO 39 69 ASN 40 70 VAL 41 71 VAL 42 72 VAL 43 73 THR 44 74 GLY 45 75 LEU 46 76 THR 47 77 LEU 48 78 VAL 49 79 CYS 50 80 SER 51 81 SER 52 82 ALA 53 83 PRO 54 84 GLY 55 85 PRO 56 86 LEU 57 87 GLU 58 88 LEU 59 89 ASP 60 90 LEU 61 91 THR 62 92 GLY 63 93 ASP 64 94 LEU 65 95 GLU 66 96 SER 67 97 PHE 68 98 LYS 69 99 LYS 70 100 GLN 71 101 SER 72 102 PHE 73 103 VAL 74 104 LEU 75 105 LYS 76 106 GLU 77 107 GLY 78 108 VAL 79 109 GLU 80 110 TYR 81 111 ARG 82 112 ILE 83 113 LYS 84 114 ILE 85 115 SER 86 116 PHE 87 117 ARG 88 118 VAL 89 119 ASN 90 120 ARG 91 121 GLU 92 122 ILE 93 123 VAL 94 124 SER 95 125 GLY 96 126 MET 97 127 LYS 98 128 TYR 99 129 ILE 100 130 GLN 101 131 HIS 102 132 THR 103 133 TYR 104 134 ARG 105 135 LYS 106 136 GLY 107 137 VAL 108 138 LYS 109 139 ILE 110 140 ASP 111 141 LYS 112 142 THR 113 143 ASP 114 144 TYR 115 145 MET 116 146 VAL 117 147 GLY 118 148 SER 119 149 TYR 120 150 GLY 121 151 PRO 122 152 ARG 123 153 ALA 124 154 GLU 125 155 GLU 126 156 TYR 127 157 GLU 128 158 PHE 129 159 LEU 130 160 THR 131 161 PRO 132 162 VAL 133 163 GLU 134 164 GLU 135 165 ALA 136 166 PRO 137 167 LYS 138 168 GLY 139 169 MET 140 170 LEU 141 171 ALA 142 172 ARG 143 173 GLY 144 174 SER 145 175 TYR 146 176 SER 147 177 ILE 148 178 LYS 149 179 SER 150 180 ARG 151 181 PHE 152 182 THR 153 183 ASP 154 184 ASP 155 185 ASP 156 186 LYS 157 187 THR 158 188 ASP 159 189 HIS 160 190 LEU 161 191 SER 162 192 TRP 163 193 GLU 164 194 TRP 165 195 ASN 166 196 LEU 167 197 THR 168 198 ILE 169 199 LYS 170 200 LYS 171 201 ASP 172 202 TRP 173 203 LYS 174 204 ASP stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date . save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $entity_1 Human 9606 Eukaryota Metazoa Homo sapiens $entity_2 Human 9606 Eukaryota Metazoa Homo sapiens stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Saveframe_category experimental_source loop_ _Mol_label _Production_method _Host_organism_name_common _Genus _Species _Strain _Vector_name $entity_1 'recombinant technology' . Escherichia coli . pET32a-derived $entity_2 'recombinant technology' . Escherichia coli . pET32a-derived stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity_1 0.5 mM '[U-99% 13C; U-99% 15N]' DTT 1 mM '[U-98% 2H]' HEPES 10 mM '[U-98% 2H]' EDTA 1 mM 'natural abundance' 'sodium azide' 1 mM 'natural abundance' $entity_2 2 mM 'natural abundance' stop_ save_ save_sample_2 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity_2 0.5 mM '[U-99% 13C; U-99% 15N]' $entity_1 2 mM 'natural abundance' DTT 1 mM '[U-98% 2H]' HEPES 10 mM '[U-98% 2H]' EDTA 1 mM 'natural abundance' 'sodium azide' 1 mM 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_NMRPipe _Saveframe_category software _Name NMRPipe _Version . loop_ _Vendor _Address _Electronic_address 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . stop_ loop_ _Task processing stop_ _Details . save_ save_NMRView _Saveframe_category software _Name NMRView _Version . loop_ _Vendor _Address _Electronic_address 'Johnson, One Moon Scientific' . . stop_ loop_ _Task 'data analysis' stop_ _Details . save_ save_CYANA _Saveframe_category software _Name CYANA _Version . loop_ _Vendor _Address _Electronic_address 'Guntert, Braun and Wuthrich' . . stop_ loop_ _Task 'structure solution' stop_ _Details . save_ save_AMBER _Saveframe_category software _Name AMBER _Version . loop_ _Vendor _Address _Electronic_address 'Case, Darden, Cheatham, III, Simmerling, Wang, Duke, Luo, ... and Kollman' . . stop_ loop_ _Task refinement stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 800 _Details . save_ ############################# # NMR applied experiments # ############################# save_2D_1H-15N_HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_1 save_ save_2D_1H-13C_HSQC_aliphatic_2 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC aliphatic' _Sample_label $sample_1 save_ save_2D_1H-13C_HSQC_aromatic_3 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC aromatic' _Sample_label $sample_1 save_ save_3D_HNCA_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $sample_1 save_ save_3D_HN(CO)CA_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CO)CA' _Sample_label $sample_1 save_ save_3D_HCCH-TOCSY_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-TOCSY' _Sample_label $sample_1 save_ save_3D_13C,15N-filtered_NOESY_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 13C,15N-filtered NOESY' _Sample_label $sample_1 save_ save_4D_13C,_15N-edited_NOESY_8 _Saveframe_category NMR_applied_experiment _Experiment_name '4D 13C, 15N-edited NOESY' _Sample_label $sample_1 save_ save_2D_1H-15N_HSQC_9 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_2 save_ save_2D_1H-13C_HSQC_aliphatic_10 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC aliphatic' _Sample_label $sample_2 save_ save_2D_1H-13C_HSQC_aromatic_11 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC aromatic' _Sample_label $sample_2 save_ save_3D_HNCA_12 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $sample_2 save_ save_3D_HN(CO)CA_13 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CO)CA' _Sample_label $sample_2 save_ save_3D_HCCH-TOCSY_14 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-TOCSY' _Sample_label $sample_2 save_ save_3D_13C,15N-filtered_NOESY_15 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 13C,15N-filtered NOESY' _Sample_label $sample_2 save_ save_4D_13C,_15N-edited_NOESY_16 _Saveframe_category NMR_applied_experiment _Experiment_name '4D 13C, 15N-edited NOESY' _Sample_label $sample_2 save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 10 . mM pH 6.9 . pH pressure 1 . atm temperature 273 . K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Saveframe_category chemical_shift_reference _Details . loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio DSS C 13 'methyl protons' ppm 0.00 na indirect . . . 0.251449530 DSS H 1 'methyl protons' ppm 0.00 external direct cylindrical . parallel 1.000000000 DSS N 15 'methyl protons' ppm 0.00 na indirect . . . 0.101329118 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '2D 1H-15N HSQC' '2D 1H-13C HSQC aliphatic' '2D 1H-13C HSQC aromatic' '3D HNCA' '3D HN(CO)CA' '3D HCCH-TOCSY' '4D 13C, 15N-edited NOESY' stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name entity_1 _Text_data_format . _Text_data . loop_ _Atom_shift_assign_ID _Residue_author_seq_code _Residue_seq_code _Residue_label _Atom_name _Atom_type _Chem_shift_value _Chem_shift_value_error _Chem_shift_ambiguity_code 1 334 1 GLY H H 8.378 0.02 1 2 334 1 GLY HA2 H 4.000 0.02 2 3 334 1 GLY HA3 H 4.000 0.02 2 4 334 1 GLY CA C 44.500 0.2 1 5 334 1 GLY N N 109.896 0.1 1 6 335 2 LEU H H 8.289 0.02 1 7 335 2 LEU HA H 4.203 0.02 1 8 335 2 LEU HB2 H 1.593 0.02 2 9 335 2 LEU HB3 H 1.867 0.02 2 10 335 2 LEU HG H 1.651 0.02 1 11 335 2 LEU HD1 H 0.860 0.02 2 12 335 2 LEU HD2 H 0.739 0.02 2 13 335 2 LEU CA C 54.890 0.2 1 14 335 2 LEU CB C 40.860 0.2 1 15 335 2 LEU CG C 26.450 0.2 1 16 335 2 LEU CD1 C 24.570 0.2 1 17 335 2 LEU CD2 C 21.958 0.2 1 18 335 2 LEU N N 120.860 0.1 1 19 336 3 TYR H H 9.027 0.02 1 20 336 3 TYR HA H 4.042 0.02 1 21 336 3 TYR HB2 H 2.784 0.02 2 22 336 3 TYR HB3 H 3.006 0.02 2 23 336 3 TYR HD1 H 6.877 0.02 3 24 336 3 TYR HE1 H 6.628 0.02 3 25 336 3 TYR CA C 61.360 0.2 1 26 336 3 TYR CB C 38.768 0.2 1 27 336 3 TYR CD1 C 132.270 0.2 3 28 336 3 TYR CE1 C 116.970 0.2 3 29 336 3 TYR N N 127.150 0.1 1 30 337 4 SER H H 9.318 0.02 1 31 337 4 SER HA H 3.926 0.02 1 32 337 4 SER HB2 H 3.879 0.02 2 33 337 4 SER HB3 H 3.879 0.02 2 34 337 4 SER CA C 59.251 0.2 1 35 337 4 SER CB C 62.235 0.2 1 36 337 4 SER N N 111.560 0.1 1 37 338 5 SER H H 7.459 0.02 1 38 338 5 SER HA H 4.465 0.02 1 39 338 5 SER HB2 H 3.946 0.02 2 40 338 5 SER HB3 H 3.946 0.02 2 41 338 5 SER CA C 58.120 0.2 1 42 338 5 SER CB C 63.663 0.2 1 43 338 5 SER N N 115.800 0.1 1 44 339 6 LEU H H 7.520 0.02 1 45 339 6 LEU HA H 4.366 0.02 1 46 339 6 LEU HB2 H 1.528 0.02 2 47 339 6 LEU HB3 H 1.137 0.02 2 48 339 6 LEU HG H 1.853 0.02 1 49 339 6 LEU HD1 H 0.745 0.02 2 50 339 6 LEU HD2 H 0.885 0.02 2 51 339 6 LEU CA C 52.936 0.2 1 52 339 6 LEU CB C 40.889 0.2 1 53 339 6 LEU CG C 26.230 0.2 1 54 339 6 LEU CD1 C 25.740 0.2 1 55 339 6 LEU CD2 C 22.470 0.2 1 56 339 6 LEU N N 123.972 0.1 1 57 340 7 PRO HA H 4.723 0.02 1 58 340 7 PRO HB2 H 2.140 0.02 2 59 340 7 PRO HB3 H 2.140 0.02 2 60 340 7 PRO HG2 H 2.494 0.02 2 61 340 7 PRO HG3 H 1.860 0.02 2 62 340 7 PRO HD2 H 3.407 0.02 2 63 340 7 PRO HD3 H 3.980 0.02 2 64 340 7 PRO CA C 60.800 0.2 1 65 340 7 PRO CB C 27.300 0.2 1 66 340 7 PRO CG C 30.400 0.2 1 67 340 7 PRO CD C 49.700 0.2 1 68 341 8 PRO HA H 3.971 0.02 1 69 341 8 PRO HB2 H 1.960 0.02 2 70 341 8 PRO HB3 H 2.320 0.02 2 71 341 8 PRO HG2 H 2.160 0.02 2 72 341 8 PRO HG3 H 2.030 0.02 2 73 341 8 PRO HD2 H 3.843 0.02 2 74 341 8 PRO CA C 65.204 0.2 1 75 341 8 PRO CB C 31.100 0.2 1 76 341 8 PRO CG C 26.800 0.2 1 77 341 8 PRO CD C 49.944 0.2 1 78 342 9 ALA H H 8.625 0.02 1 79 342 9 ALA HA H 4.125 0.02 1 80 342 9 ALA HB H 1.378 0.02 1 81 342 9 ALA CA C 54.529 0.2 1 82 342 9 ALA CB C 17.700 0.2 1 83 342 9 ALA N N 117.460 0.1 1 84 343 10 LYS H H 7.254 0.02 1 85 343 10 LYS HA H 4.295 0.02 1 86 343 10 LYS HB2 H 1.890 0.02 2 87 343 10 LYS HB3 H 1.890 0.02 2 88 343 10 LYS HG2 H 1.410 0.02 2 89 343 10 LYS HG3 H 1.564 0.02 2 90 343 10 LYS HD2 H 1.770 0.02 2 91 343 10 LYS HE2 H 2.890 0.02 2 92 343 10 LYS HE3 H 2.890 0.02 2 93 343 10 LYS CA C 56.167 0.2 1 94 343 10 LYS CB C 30.889 0.2 1 95 343 10 LYS CG C 23.800 0.2 1 96 343 10 LYS CD C 27.100 0.2 1 97 343 10 LYS CE C 41.100 0.2 1 98 343 10 LYS N N 117.364 0.1 1 99 344 11 ARG H H 7.410 0.02 1 100 344 11 ARG HA H 3.850 0.02 1 101 344 11 ARG HB2 H 1.916 0.02 2 102 344 11 ARG HB3 H 1.671 0.02 2 103 344 11 ARG HG2 H 1.256 0.02 2 104 344 11 ARG HG3 H 0.994 0.02 2 105 344 11 ARG HD2 H 2.990 0.02 2 106 344 11 ARG HD3 H 2.880 0.02 2 107 344 11 ARG CA C 59.660 0.2 1 108 344 11 ARG CB C 29.300 0.2 1 109 344 11 ARG CG C 28.800 0.2 1 110 344 11 ARG CD C 42.600 0.2 1 111 344 11 ARG N N 118.680 0.1 1 112 345 12 GLU H H 8.267 0.02 1 113 345 12 GLU HA H 3.926 0.02 1 114 345 12 GLU HB2 H 2.000 0.02 2 115 345 12 GLU HB3 H 2.010 0.02 2 116 345 12 GLU HG2 H 2.190 0.02 2 117 345 12 GLU HG3 H 2.310 0.02 2 118 345 12 GLU CA C 58.720 0.2 1 119 345 12 GLU CB C 28.600 0.2 1 120 345 12 GLU CG C 35.700 0.2 1 121 345 12 GLU N N 118.035 0.1 1 122 346 13 GLU H H 7.444 0.02 1 123 346 13 GLU HA H 3.950 0.02 1 124 346 13 GLU HB2 H 2.220 0.02 2 125 346 13 GLU HB3 H 2.220 0.02 2 126 346 13 GLU HG2 H 2.382 0.02 2 127 346 13 GLU HG3 H 2.184 0.02 2 128 346 13 GLU CA C 59.000 0.2 1 129 346 13 GLU CB C 29.113 0.2 1 130 346 13 GLU CG C 35.350 0.2 1 131 346 13 GLU N N 119.810 0.1 1 132 347 14 VAL H H 7.938 0.02 1 133 347 14 VAL HA H 3.470 0.02 1 134 347 14 VAL HB H 2.487 0.02 1 135 347 14 VAL HG1 H 0.893 0.02 2 136 347 14 VAL HG2 H 1.095 0.02 2 137 347 14 VAL CA C 66.267 0.2 1 138 347 14 VAL CB C 30.800 0.2 1 139 347 14 VAL CG1 C 21.121 0.2 1 140 347 14 VAL CG2 C 22.073 0.2 1 141 347 14 VAL N N 119.540 0.1 1 142 348 15 GLU H H 8.094 0.02 1 143 348 15 GLU HA H 3.513 0.02 1 144 348 15 GLU HB2 H 2.070 0.02 2 145 348 15 GLU HB3 H 1.836 0.02 2 146 348 15 GLU HG2 H 2.470 0.02 2 147 348 15 GLU HG3 H 1.968 0.02 2 148 348 15 GLU CA C 59.609 0.2 1 149 348 15 GLU CB C 28.620 0.2 1 150 348 15 GLU CG C 36.560 0.2 1 151 348 15 GLU N N 118.250 0.1 1 152 349 16 LYS H H 8.319 0.02 1 153 349 16 LYS HA H 3.948 0.02 1 154 349 16 LYS HB2 H 1.880 0.02 2 155 349 16 LYS HB3 H 1.850 0.02 2 156 349 16 LYS HG2 H 1.580 0.02 2 157 349 16 LYS HG3 H 1.370 0.02 2 158 349 16 LYS HD2 H 1.660 0.02 2 159 349 16 LYS HD3 H 1.660 0.02 2 160 349 16 LYS HE2 H 2.920 0.02 2 161 349 16 LYS CA C 59.000 0.2 1 162 349 16 LYS CB C 31.809 0.2 1 163 349 16 LYS CG C 24.733 0.2 1 164 349 16 LYS CD C 28.680 0.2 1 165 349 16 LYS CE C 41.300 0.2 1 166 349 16 LYS N N 118.860 0.1 1 167 350 17 LEU H H 8.020 0.02 1 168 350 17 LEU HA H 4.050 0.02 1 169 350 17 LEU HB2 H 1.853 0.02 2 170 350 17 LEU HB3 H 1.600 0.02 2 171 350 17 LEU HG H 1.691 0.02 1 172 350 17 LEU HD1 H 0.888 0.02 2 173 350 17 LEU HD2 H 0.872 0.02 2 174 350 17 LEU CA C 56.954 0.2 1 175 350 17 LEU CB C 41.300 0.2 1 176 350 17 LEU CG C 26.351 0.2 1 177 350 17 LEU CD1 C 24.100 0.2 1 178 350 17 LEU CD2 C 23.800 0.2 1 179 350 17 LEU N N 120.820 0.1 1 180 351 18 LEU H H 8.205 0.02 1 181 351 18 LEU HA H 4.020 0.02 1 182 351 18 LEU HB2 H 1.840 0.02 2 183 351 18 LEU HB3 H 1.235 0.02 2 184 351 18 LEU HG H 1.821 0.02 1 185 351 18 LEU HD1 H 0.670 0.02 2 186 351 18 LEU HD2 H 0.700 0.02 2 187 351 18 LEU CA C 56.700 0.2 1 188 351 18 LEU CB C 41.470 0.2 1 189 351 18 LEU CG C 26.700 0.2 1 190 351 18 LEU CD1 C 25.100 0.2 1 191 351 18 LEU CD2 C 22.900 0.2 1 192 351 18 LEU N N 117.800 0.1 1 193 352 19 ASN H H 8.613 0.02 1 194 352 19 ASN HA H 4.487 0.02 1 195 352 19 ASN HB2 H 2.640 0.02 2 196 352 19 ASN HB3 H 2.770 0.02 2 197 352 19 ASN HD21 H 7.625 0.02 2 198 352 19 ASN HD22 H 6.695 0.02 2 199 352 19 ASN CA C 54.980 0.2 1 200 352 19 ASN CB C 38.660 0.2 1 201 352 19 ASN N N 118.847 0.1 1 202 352 19 ASN ND2 N 113.100 0.1 1 203 353 20 GLY H H 7.803 0.02 1 204 353 20 GLY HA2 H 4.180 0.02 2 205 353 20 GLY HA3 H 3.860 0.02 2 206 353 20 GLY CA C 45.100 0.2 1 207 353 20 GLY N N 104.836 0.1 1 208 354 21 SER H H 7.567 0.02 1 209 354 21 SER HA H 4.530 0.02 1 210 354 21 SER HB2 H 4.010 0.02 2 211 354 21 SER HB3 H 3.970 0.02 2 212 354 21 SER CA C 58.317 0.2 1 213 354 21 SER CB C 63.678 0.2 1 214 354 21 SER N N 115.370 0.1 1 215 355 22 ALA H H 8.334 0.02 1 216 355 22 ALA HA H 4.455 0.02 1 217 355 22 ALA HB H 1.482 0.02 1 218 355 22 ALA CA C 51.960 0.2 1 219 355 22 ALA CB C 18.545 0.2 1 220 355 22 ALA N N 124.206 0.1 1 221 356 23 GLY H H 8.613 0.02 1 222 356 23 GLY HA2 H 3.990 0.02 2 223 356 23 GLY HA3 H 3.940 0.02 2 224 356 23 GLY CA C 46.340 0.2 1 225 356 23 GLY N N 108.886 0.1 1 226 357 24 ASP H H 8.534 0.02 1 227 357 24 ASP HA H 4.490 0.02 1 228 357 24 ASP HB2 H 2.508 0.02 2 229 357 24 ASP CA C 53.700 0.2 1 230 357 24 ASP CB C 39.418 0.2 1 231 357 24 ASP N N 119.161 0.1 1 232 358 25 THR H H 7.864 0.02 1 233 358 25 THR HA H 3.855 0.02 1 234 358 25 THR HB H 4.293 0.02 1 235 358 25 THR HG2 H 1.092 0.02 1 236 358 25 THR CA C 66.123 0.2 1 237 358 25 THR CB C 67.860 0.2 1 238 358 25 THR CG2 C 20.880 0.2 1 239 358 25 THR N N 116.000 0.1 1 240 359 26 TRP H H 8.287 0.02 1 241 359 26 TRP HA H 3.930 0.02 1 242 359 26 TRP HB2 H 3.036 0.02 2 243 359 26 TRP HB3 H 3.036 0.02 2 244 359 26 TRP HD1 H 7.622 0.02 1 245 359 26 TRP HE1 H 10.298 0.02 1 246 359 26 TRP HE3 H 7.040 0.02 1 247 359 26 TRP HZ2 H 7.400 0.02 1 248 359 26 TRP HZ3 H 6.930 0.02 1 249 359 26 TRP HH2 H 7.250 0.02 1 250 359 26 TRP CA C 59.500 0.2 1 251 359 26 TRP CB C 26.859 0.2 1 252 359 26 TRP CD1 C 126.900 0.2 1 253 359 26 TRP CE3 C 118.900 0.2 1 254 359 26 TRP CZ2 C 113.880 0.2 1 255 359 26 TRP CZ3 C 121.000 0.2 1 256 359 26 TRP CH2 C 124.100 0.2 1 257 359 26 TRP N N 118.670 0.1 1 258 359 26 TRP NE1 N 130.381 0.1 1 259 360 27 ARG H H 6.341 0.02 1 260 360 27 ARG HA H 2.995 0.02 1 261 360 27 ARG HB2 H 0.844 0.02 2 262 360 27 ARG HB3 H 1.108 0.02 2 263 360 27 ARG HG2 H -0.080 0.02 2 264 360 27 ARG HG3 H -0.020 0.02 2 265 360 27 ARG HD2 H 2.740 0.02 2 266 360 27 ARG HD3 H 2.700 0.02 2 267 360 27 ARG CA C 58.797 0.2 1 268 360 27 ARG CB C 28.650 0.2 1 269 360 27 ARG CG C 26.200 0.2 1 270 360 27 ARG CD C 42.100 0.2 1 271 360 27 ARG N N 122.263 0.1 1 272 361 28 HIS H H 7.370 0.02 1 273 361 28 HIS HA H 4.379 0.02 1 274 361 28 HIS HB2 H 3.122 0.02 2 275 361 28 HIS HB3 H 3.122 0.02 2 276 361 28 HIS HD2 H 6.909 0.02 1 277 361 28 HIS CA C 57.124 0.2 1 278 361 28 HIS CB C 29.551 0.2 1 279 361 28 HIS CD2 C 118.100 0.2 1 280 361 28 HIS N N 120.604 0.1 1 281 362 29 LEU H H 8.365 0.02 1 282 362 29 LEU HA H 3.750 0.02 1 283 362 29 LEU HB2 H 1.892 0.02 2 284 362 29 LEU HB3 H 1.194 0.02 2 285 362 29 LEU HG H 1.209 0.02 1 286 362 29 LEU HD1 H 0.547 0.02 2 287 362 29 LEU HD2 H 0.555 0.02 2 288 362 29 LEU CA C 57.153 0.2 1 289 362 29 LEU CB C 40.886 0.2 1 290 362 29 LEU CG C 25.821 0.2 1 291 362 29 LEU CD1 C 25.000 0.2 1 292 362 29 LEU CD2 C 22.200 0.2 1 293 362 29 LEU N N 120.734 0.1 1 294 363 30 ALA H H 8.384 0.02 1 295 363 30 ALA HA H 3.824 0.02 1 296 363 30 ALA HB H 1.470 0.02 1 297 363 30 ALA CA C 54.910 0.2 1 298 363 30 ALA CB C 18.000 0.2 1 299 363 30 ALA N N 118.919 0.1 1 300 364 31 GLY H H 7.679 0.02 1 301 364 31 GLY HA2 H 4.030 0.02 2 302 364 31 GLY HA3 H 4.180 0.02 2 303 364 31 GLY CA C 46.452 0.2 1 304 364 31 GLY N N 103.970 0.1 1 305 365 32 GLU H H 7.724 0.02 1 306 365 32 GLU HA H 4.250 0.02 1 307 365 32 GLU HB2 H 1.970 0.02 2 308 365 32 GLU HB3 H 2.030 0.02 2 309 365 32 GLU HG2 H 2.345 0.02 2 310 365 32 GLU HG3 H 2.240 0.02 2 311 365 32 GLU CA C 57.100 0.2 1 312 365 32 GLU CB C 29.043 0.2 1 313 365 32 GLU CG C 35.420 0.2 1 314 365 32 GLU N N 122.387 0.1 1 315 366 33 LEU H H 7.813 0.02 1 316 366 33 LEU HA H 4.329 0.02 1 317 366 33 LEU HB2 H 1.718 0.02 2 318 366 33 LEU HB3 H 1.620 0.02 2 319 366 33 LEU HG H 1.427 0.02 1 320 366 33 LEU HD1 H 0.179 0.02 2 321 366 33 LEU HD2 H -0.330 0.02 2 322 366 33 LEU CA C 53.898 0.2 1 323 366 33 LEU CB C 40.569 0.2 1 324 366 33 LEU CG C 24.435 0.2 1 325 366 33 LEU CD1 C 19.678 0.2 1 326 366 33 LEU CD2 C 22.700 0.2 1 327 366 33 LEU N N 117.748 0.1 1 328 367 34 GLY H H 7.636 0.02 1 329 367 34 GLY HA2 H 4.210 0.02 2 330 367 34 GLY HA3 H 3.700 0.02 2 331 367 34 GLY CA C 44.900 0.2 1 332 367 34 GLY N N 105.744 0.1 1 333 368 35 TYR H H 7.958 0.02 1 334 368 35 TYR HA H 4.450 0.02 1 335 368 35 TYR HB2 H 2.910 0.02 2 336 368 35 TYR HB3 H 2.654 0.02 2 337 368 35 TYR HD1 H 7.114 0.02 3 338 368 35 TYR HE1 H 6.725 0.02 3 339 368 35 TYR CA C 58.960 0.2 1 340 368 35 TYR CB C 37.990 0.2 1 341 368 35 TYR CD1 C 132.000 0.2 3 342 368 35 TYR CE1 C 117.600 0.2 3 343 368 35 TYR N N 119.550 0.1 1 344 369 36 GLN H H 9.767 0.02 1 345 369 36 GLN HA H 4.600 0.02 1 346 369 36 GLN HB2 H 1.747 0.02 2 347 369 36 GLN HB3 H 2.437 0.02 2 348 369 36 GLN HG2 H 2.540 0.02 2 349 369 36 GLN HG3 H 2.540 0.02 2 350 369 36 GLN HE21 H 7.406 0.02 2 351 369 36 GLN HE22 H 6.858 0.02 2 352 369 36 GLN CA C 53.400 0.2 1 353 369 36 GLN CB C 27.110 0.2 1 354 369 36 GLN CG C 33.420 0.2 1 355 369 36 GLN N N 123.108 0.1 1 356 369 36 GLN NE2 N 113.450 0.1 1 357 370 37 PRO HA H 4.057 0.02 1 358 370 37 PRO HB2 H 1.902 0.02 2 359 370 37 PRO HB3 H 2.376 0.02 2 360 370 37 PRO HG2 H 2.188 0.02 2 361 370 37 PRO HG3 H 2.000 0.02 2 362 370 37 PRO HD2 H 3.816 0.02 2 363 370 37 PRO CA C 66.262 0.2 1 364 370 37 PRO CB C 31.384 0.2 1 365 370 37 PRO CG C 27.318 0.2 1 366 370 37 PRO CD C 49.911 0.2 1 367 371 38 GLU H H 9.493 0.02 1 368 371 38 GLU HA H 4.111 0.02 1 369 371 38 GLU HB2 H 1.888 0.02 2 370 371 38 GLU HB3 H 1.888 0.02 2 371 371 38 GLU HG2 H 2.076 0.02 2 372 371 38 GLU HG3 H 2.076 0.02 2 373 371 38 GLU CA C 58.661 0.2 1 374 371 38 GLU CB C 27.741 0.2 1 375 371 38 GLU CG C 35.231 0.2 1 376 371 38 GLU N N 116.204 0.1 1 377 372 39 HIS H H 7.424 0.02 1 378 372 39 HIS HA H 4.425 0.02 1 379 372 39 HIS HB2 H 3.419 0.02 2 380 372 39 HIS HB3 H 3.310 0.02 2 381 372 39 HIS HD2 H 6.930 0.02 1 382 372 39 HIS CA C 57.070 0.2 1 383 372 39 HIS CB C 31.818 0.2 1 384 372 39 HIS CD2 C 116.570 0.2 1 385 372 39 HIS N N 120.310 0.1 1 386 373 40 ILE H H 7.950 0.02 1 387 373 40 ILE HA H 3.708 0.02 1 388 373 40 ILE HB H 1.976 0.02 1 389 373 40 ILE HG12 H 1.789 0.02 1 390 373 40 ILE HG13 H 0.772 0.02 1 391 373 40 ILE HG2 H 0.810 0.02 1 392 373 40 ILE HD1 H 0.704 0.02 1 393 373 40 ILE CA C 65.480 0.2 1 394 373 40 ILE CB C 37.329 0.2 1 395 373 40 ILE CG1 C 29.510 0.2 1 396 373 40 ILE CG2 C 17.290 0.2 1 397 373 40 ILE CD1 C 12.680 0.2 1 398 373 40 ILE N N 120.390 0.1 1 399 374 41 ASP H H 8.142 0.02 1 400 374 41 ASP HA H 4.508 0.02 1 401 374 41 ASP HB2 H 2.668 0.02 2 402 374 41 ASP HB3 H 2.668 0.02 2 403 374 41 ASP CA C 56.504 0.2 1 404 374 41 ASP CB C 40.175 0.2 1 405 374 41 ASP N N 117.990 0.1 1 406 375 42 SER H H 7.485 0.02 1 407 375 42 SER HA H 4.207 0.02 1 408 375 42 SER HB2 H 3.786 0.02 2 409 375 42 SER HB3 H 3.786 0.02 2 410 375 42 SER CA C 60.962 0.2 1 411 375 42 SER CB C 61.999 0.2 1 412 375 42 SER N N 115.373 0.1 1 413 376 43 PHE H H 7.787 0.02 1 414 376 43 PHE HA H 4.503 0.02 1 415 376 43 PHE HB2 H 3.173 0.02 2 416 376 43 PHE HB3 H 2.924 0.02 2 417 376 43 PHE HD1 H 7.122 0.02 3 418 376 43 PHE HE1 H 6.785 0.02 3 419 376 43 PHE HZ H 6.900 0.02 1 420 376 43 PHE CA C 58.170 0.2 1 421 376 43 PHE CB C 37.729 0.2 1 422 376 43 PHE CD1 C 130.200 0.2 3 423 376 43 PHE CE1 C 130.660 0.2 3 424 376 43 PHE CZ C 128.500 0.2 1 425 376 43 PHE N N 120.335 0.1 1 426 377 44 THR H H 7.777 0.02 1 427 377 44 THR HA H 3.908 0.02 1 428 377 44 THR HB H 4.258 0.02 1 429 377 44 THR HG2 H 1.382 0.02 1 430 377 44 THR CA C 64.888 0.2 1 431 377 44 THR CB C 68.990 0.2 1 432 377 44 THR CG2 C 21.110 0.2 1 433 377 44 THR N N 110.175 0.1 1 434 378 45 HIS H H 7.473 0.02 1 435 378 45 HIS HA H 4.630 0.02 1 436 378 45 HIS HB2 H 3.090 0.02 2 437 378 45 HIS HB3 H 3.360 0.02 2 438 378 45 HIS CA C 55.189 0.2 1 439 378 45 HIS CB C 28.700 0.2 1 440 378 45 HIS N N 116.164 0.1 1 441 379 46 GLU H H 7.229 0.02 1 442 379 46 GLU HA H 4.194 0.02 1 443 379 46 GLU HB2 H 2.040 0.02 2 444 379 46 GLU HB3 H 1.607 0.02 2 445 379 46 GLU HG2 H 2.234 0.02 2 446 379 46 GLU HG3 H 2.234 0.02 2 447 379 46 GLU CA C 54.632 0.2 1 448 379 46 GLU CB C 29.247 0.2 1 449 379 46 GLU CG C 35.330 0.2 1 450 379 46 GLU N N 119.465 0.1 1 451 380 47 ALA H H 8.624 0.02 1 452 380 47 ALA HA H 3.983 0.02 1 453 380 47 ALA HB H 1.372 0.02 1 454 380 47 ALA CA C 54.134 0.2 1 455 380 47 ALA CB C 17.480 0.2 1 456 380 47 ALA N N 123.121 0.1 1 457 381 48 CYS H H 7.962 0.02 1 458 381 48 CYS HA H 4.650 0.02 1 459 381 48 CYS HB2 H 2.600 0.02 2 460 381 48 CYS HB3 H 2.750 0.02 2 461 381 48 CYS CA C 54.700 0.2 1 462 381 48 CYS CB C 26.580 0.2 1 463 381 48 CYS N N 114.618 0.1 1 464 382 49 PRO HA H 3.530 0.02 1 465 382 49 PRO HB2 H 0.611 0.02 2 466 382 49 PRO HB3 H -0.140 0.02 2 467 382 49 PRO HG2 H 1.540 0.02 2 468 382 49 PRO HG3 H 1.750 0.02 2 469 382 49 PRO HD2 H 3.567 0.02 2 470 382 49 PRO HD3 H 3.380 0.02 2 471 382 49 PRO CA C 65.150 0.2 1 472 382 49 PRO CB C 30.400 0.2 1 473 382 49 PRO CG C 26.100 0.2 1 474 382 49 PRO CD C 49.900 0.2 1 475 383 50 VAL H H 7.935 0.02 1 476 383 50 VAL HA H 3.250 0.02 1 477 383 50 VAL HB H 1.908 0.02 1 478 383 50 VAL HG1 H 0.728 0.02 2 479 383 50 VAL HG2 H 0.798 0.02 2 480 383 50 VAL CA C 65.300 0.2 1 481 383 50 VAL CB C 30.489 0.2 1 482 383 50 VAL CG1 C 20.820 0.2 1 483 383 50 VAL CG2 C 23.100 0.2 1 484 383 50 VAL N N 114.288 0.1 1 485 384 51 ARG H H 7.253 0.02 1 486 384 51 ARG HA H 3.782 0.02 1 487 384 51 ARG HB2 H 1.771 0.02 2 488 384 51 ARG HB3 H 1.771 0.02 2 489 384 51 ARG HG2 H 1.690 0.02 2 490 384 51 ARG HG3 H 1.470 0.02 2 491 384 51 ARG HD2 H 3.100 0.02 2 492 384 51 ARG CA C 58.700 0.2 1 493 384 51 ARG CB C 29.545 0.2 1 494 384 51 ARG CG C 27.000 0.2 1 495 384 51 ARG CD C 43.000 0.2 1 496 384 51 ARG N N 120.700 0.1 1 497 385 52 ALA H H 7.371 0.02 1 498 385 52 ALA HA H 4.010 0.02 1 499 385 52 ALA HB H 1.356 0.02 1 500 385 52 ALA CA C 54.015 0.2 1 501 385 52 ALA CB C 17.600 0.2 1 502 385 52 ALA N N 121.849 0.1 1 503 386 53 LEU H H 7.999 0.02 1 504 386 53 LEU HA H 2.817 0.02 1 505 386 53 LEU HB2 H 1.581 0.02 2 506 386 53 LEU HB3 H 0.628 0.02 2 507 386 53 LEU HG H 0.979 0.02 1 508 386 53 LEU HD1 H 0.690 0.02 2 509 386 53 LEU HD2 H 0.285 0.02 2 510 386 53 LEU CA C 56.800 0.2 1 511 386 53 LEU CB C 40.600 0.2 1 512 386 53 LEU CG C 26.596 0.2 1 513 386 53 LEU CD1 C 25.600 0.2 1 514 386 53 LEU CD2 C 23.500 0.2 1 515 386 53 LEU N N 120.978 0.1 1 516 387 54 LEU H H 7.973 0.02 1 517 387 54 LEU HA H 4.040 0.02 1 518 387 54 LEU HB2 H 1.808 0.02 2 519 387 54 LEU HB3 H 1.386 0.02 2 520 387 54 LEU HG H 1.594 0.02 1 521 387 54 LEU HD1 H 0.687 0.02 2 522 387 54 LEU HD2 H 0.339 0.02 2 523 387 54 LEU CA C 57.390 0.2 1 524 387 54 LEU CB C 40.200 0.2 1 525 387 54 LEU CG C 26.500 0.2 1 526 387 54 LEU CD1 C 25.100 0.2 1 527 387 54 LEU CD2 C 21.200 0.2 1 528 387 54 LEU N N 117.377 0.1 1 529 388 55 ALA H H 8.086 0.02 1 530 388 55 ALA HA H 4.110 0.02 1 531 388 55 ALA HB H 1.437 0.02 1 532 388 55 ALA CA C 54.162 0.2 1 533 388 55 ALA CB C 17.437 0.2 1 534 388 55 ALA N N 120.700 0.1 1 535 389 56 SER H H 7.446 0.02 1 536 389 56 SER HA H 4.386 0.02 1 537 389 56 SER HB2 H 4.220 0.02 2 538 389 56 SER HB3 H 4.220 0.02 2 539 389 56 SER CA C 59.878 0.2 1 540 389 56 SER CB C 62.639 0.2 1 541 389 56 SER N N 111.963 0.1 1 542 390 57 TRP H H 9.032 0.02 1 543 390 57 TRP HA H 4.319 0.02 1 544 390 57 TRP HB2 H 3.233 0.02 2 545 390 57 TRP HB3 H 3.510 0.02 2 546 390 57 TRP HD1 H 7.260 0.02 1 547 390 57 TRP HE1 H 10.270 0.02 1 548 390 57 TRP HE3 H 7.190 0.02 1 549 390 57 TRP HZ2 H 7.267 0.02 1 550 390 57 TRP HZ3 H 6.110 0.02 1 551 390 57 TRP HH2 H 7.090 0.02 1 552 390 57 TRP CA C 60.946 0.2 1 553 390 57 TRP CB C 27.482 0.2 1 554 390 57 TRP CD1 C 125.200 0.2 1 555 390 57 TRP CE3 C 119.200 0.2 1 556 390 57 TRP CZ2 C 112.990 0.2 1 557 390 57 TRP CZ3 C 120.170 0.2 1 558 390 57 TRP CH2 C 123.700 0.2 1 559 390 57 TRP N N 125.600 0.1 1 560 390 57 TRP NE1 N 130.200 0.1 1 561 391 58 ALA H H 8.312 0.02 1 562 391 58 ALA HA H 3.583 0.02 1 563 391 58 ALA HB H 1.643 0.02 1 564 391 58 ALA CA C 52.859 0.2 1 565 391 58 ALA CB C 18.590 0.2 1 566 391 58 ALA N N 114.481 0.1 1 567 392 59 THR H H 7.238 0.02 1 568 392 59 THR HA H 4.196 0.02 1 569 392 59 THR HB H 4.400 0.02 1 570 392 59 THR HG2 H 1.418 0.02 1 571 392 59 THR CA C 62.128 0.2 1 572 392 59 THR CB C 69.100 0.2 1 573 392 59 THR CG2 C 20.740 0.2 1 574 392 59 THR N N 106.369 0.1 1 575 393 60 GLN H H 7.701 0.02 1 576 393 60 GLN HA H 4.295 0.02 1 577 393 60 GLN HB2 H 1.817 0.02 2 578 393 60 GLN HB3 H 2.087 0.02 2 579 393 60 GLN HG2 H 2.317 0.02 2 580 393 60 GLN HG3 H 2.530 0.02 2 581 393 60 GLN HE21 H 7.174 0.02 2 582 393 60 GLN HE22 H 6.942 0.02 2 583 393 60 GLN CA C 54.971 0.2 1 584 393 60 GLN CB C 29.130 0.2 1 585 393 60 GLN CG C 33.700 0.2 1 586 393 60 GLN N N 121.193 0.1 1 587 393 60 GLN NE2 N 110.900 0.1 1 588 394 61 ASP H H 8.623 0.02 1 589 394 61 ASP HA H 4.260 0.02 1 590 394 61 ASP HB2 H 2.630 0.02 2 591 394 61 ASP HB3 H 2.630 0.02 2 592 394 61 ASP CA C 55.700 0.2 1 593 394 61 ASP CB C 39.700 0.2 1 594 394 61 ASP N N 121.430 0.1 1 595 395 62 SER H H 7.437 0.02 1 596 395 62 SER HA H 4.293 0.02 1 597 395 62 SER HB2 H 3.816 0.02 2 598 395 62 SER HB3 H 4.091 0.02 2 599 395 62 SER CA C 56.340 0.2 1 600 395 62 SER CB C 62.319 0.2 1 601 395 62 SER N N 108.500 0.1 1 602 396 63 ALA H H 7.077 0.02 1 603 396 63 ALA HA H 3.974 0.02 1 604 396 63 ALA HB H -0.200 0.02 1 605 396 63 ALA CA C 51.617 0.2 1 606 396 63 ALA CB C 15.670 0.2 1 607 396 63 ALA N N 127.500 0.1 1 608 397 64 THR H H 7.802 0.02 1 609 397 64 THR HA H 4.760 0.02 1 610 397 64 THR HB H 4.660 0.02 1 611 397 64 THR HG2 H 1.127 0.02 1 612 397 64 THR CA C 58.900 0.2 1 613 397 64 THR CB C 70.600 0.2 1 614 397 64 THR CG2 C 21.200 0.2 1 615 397 64 THR N N 115.344 0.1 1 616 398 65 LEU H H 8.686 0.02 1 617 398 65 LEU HA H 4.402 0.02 1 618 398 65 LEU HB2 H 2.023 0.02 2 619 398 65 LEU HB3 H 1.590 0.02 2 620 398 65 LEU HG H 1.741 0.02 1 621 398 65 LEU HD1 H 1.044 0.02 2 622 398 65 LEU HD2 H 1.090 0.02 2 623 398 65 LEU CA C 57.949 0.2 1 624 398 65 LEU CB C 40.435 0.2 1 625 398 65 LEU CG C 26.684 0.2 1 626 398 65 LEU CD1 C 24.687 0.2 1 627 398 65 LEU CD2 C 22.800 0.2 1 628 398 65 LEU N N 122.107 0.1 1 629 399 66 ASP H H 8.592 0.02 1 630 399 66 ASP HA H 4.340 0.02 1 631 399 66 ASP HB2 H 2.616 0.02 2 632 399 66 ASP HB3 H 2.616 0.02 2 633 399 66 ASP CA C 57.209 0.2 1 634 399 66 ASP CB C 39.800 0.2 1 635 399 66 ASP N N 116.774 0.1 1 636 400 67 ALA H H 8.285 0.02 1 637 400 67 ALA HA H 4.265 0.02 1 638 400 67 ALA HB H 1.877 0.02 1 639 400 67 ALA CA C 54.429 0.2 1 640 400 67 ALA CB C 17.800 0.2 1 641 400 67 ALA N N 123.457 0.1 1 642 401 68 LEU H H 7.952 0.02 1 643 401 68 LEU HA H 3.774 0.02 1 644 401 68 LEU HB2 H 2.153 0.02 2 645 401 68 LEU HB3 H 1.691 0.02 2 646 401 68 LEU HG H 1.270 0.02 1 647 401 68 LEU HD1 H 0.653 0.02 2 648 401 68 LEU HD2 H 0.270 0.02 2 649 401 68 LEU CA C 57.306 0.2 1 650 401 68 LEU CB C 40.560 0.2 1 651 401 68 LEU CG C 26.600 0.2 1 652 401 68 LEU CD1 C 25.600 0.2 1 653 401 68 LEU CD2 C 22.500 0.2 1 654 401 68 LEU N N 121.963 0.1 1 655 402 69 LEU H H 8.633 0.02 1 656 402 69 LEU HA H 3.837 0.02 1 657 402 69 LEU HB2 H 1.983 0.02 2 658 402 69 LEU HB3 H 1.413 0.02 2 659 402 69 LEU HG H 2.010 0.02 1 660 402 69 LEU HD1 H 0.898 0.02 2 661 402 69 LEU HD2 H 0.813 0.02 2 662 402 69 LEU CA C 57.400 0.2 1 663 402 69 LEU CB C 39.700 0.2 1 664 402 69 LEU CG C 26.000 0.2 1 665 402 69 LEU CD1 C 25.000 0.2 1 666 402 69 LEU CD2 C 22.340 0.2 1 667 402 69 LEU N N 117.440 0.1 1 668 403 70 ALA H H 8.132 0.02 1 669 403 70 ALA HA H 3.993 0.02 1 670 403 70 ALA HB H 1.472 0.02 1 671 403 70 ALA CA C 54.500 0.2 1 672 403 70 ALA CB C 17.200 0.2 1 673 403 70 ALA N N 119.971 0.1 1 674 404 71 ALA H H 7.610 0.02 1 675 404 71 ALA HA H 3.815 0.02 1 676 404 71 ALA HB H 1.273 0.02 1 677 404 71 ALA CA C 54.800 0.2 1 678 404 71 ALA CB C 18.100 0.2 1 679 404 71 ALA N N 121.297 0.1 1 680 405 72 LEU H H 8.009 0.02 1 681 405 72 LEU HA H 3.853 0.02 1 682 405 72 LEU HB2 H 1.922 0.02 2 683 405 72 LEU HB3 H 1.121 0.02 2 684 405 72 LEU HG H 1.695 0.02 1 685 405 72 LEU HD1 H 0.652 0.02 2 686 405 72 LEU HD2 H 0.699 0.02 2 687 405 72 LEU CA C 56.591 0.2 1 688 405 72 LEU CB C 41.000 0.2 1 689 405 72 LEU CG C 25.950 0.2 1 690 405 72 LEU CD1 C 25.300 0.2 1 691 405 72 LEU CD2 C 23.200 0.2 1 692 405 72 LEU N N 116.480 0.1 1 693 406 73 ARG H H 7.983 0.02 1 694 406 73 ARG HA H 3.804 0.02 1 695 406 73 ARG HB2 H 1.900 0.02 2 696 406 73 ARG HG2 H 1.921 0.02 2 697 406 73 ARG HG3 H 1.410 0.02 2 698 406 73 ARG HD2 H 3.150 0.02 2 699 406 73 ARG HD3 H 3.150 0.02 2 700 406 73 ARG CA C 59.650 0.2 1 701 406 73 ARG CB C 29.300 0.2 1 702 406 73 ARG CG C 28.900 0.2 1 703 406 73 ARG CD C 42.600 0.2 1 704 406 73 ARG N N 118.300 0.1 1 705 407 74 ARG H H 7.916 0.02 1 706 407 74 ARG HA H 4.085 0.02 1 707 407 74 ARG HB2 H 1.999 0.02 2 708 407 74 ARG HB3 H 1.740 0.02 2 709 407 74 ARG HG2 H 2.024 0.02 2 710 407 74 ARG HG3 H 1.443 0.02 2 711 407 74 ARG HD2 H 3.175 0.02 2 712 407 74 ARG CA C 59.552 0.2 1 713 407 74 ARG CB C 29.700 0.2 1 714 407 74 ARG CG C 28.200 0.2 1 715 407 74 ARG CD C 42.800 0.2 1 716 407 74 ARG N N 120.307 0.1 1 717 408 75 ILE H H 7.274 0.02 1 718 408 75 ILE HA H 4.530 0.02 1 719 408 75 ILE HB H 2.126 0.02 1 720 408 75 ILE HG12 H 1.330 0.02 1 721 408 75 ILE HG13 H 1.420 0.02 1 722 408 75 ILE HG2 H 0.713 0.02 1 723 408 75 ILE HD1 H 0.745 0.02 1 724 408 75 ILE CA C 60.500 0.2 1 725 408 75 ILE CB C 36.148 0.2 1 726 408 75 ILE CG1 C 26.000 0.2 1 727 408 75 ILE CG2 C 17.200 0.2 1 728 408 75 ILE CD1 C 14.527 0.2 1 729 408 75 ILE N N 110.637 0.1 1 730 409 76 GLN H H 7.714 0.02 1 731 409 76 GLN HA H 3.962 0.02 1 732 409 76 GLN HB2 H 2.325 0.02 2 733 409 76 GLN HB3 H 2.325 0.02 2 734 409 76 GLN HG2 H 2.236 0.02 2 735 409 76 GLN HG3 H 2.236 0.02 2 736 409 76 GLN HE21 H 7.388 0.02 2 737 409 76 GLN HE22 H 6.732 0.02 2 738 409 76 GLN CA C 56.289 0.2 1 739 409 76 GLN CB C 24.550 0.2 1 740 409 76 GLN CG C 33.500 0.2 1 741 409 76 GLN N N 113.647 0.1 1 742 409 76 GLN NE2 N 112.300 0.1 1 743 410 77 ARG H H 8.029 0.02 1 744 410 77 ARG HA H 5.039 0.02 1 745 410 77 ARG HB2 H 1.990 0.02 2 746 410 77 ARG HB3 H 1.590 0.02 2 747 410 77 ARG HG2 H 1.490 0.02 2 748 410 77 ARG HD2 H 3.369 0.02 2 749 410 77 ARG HD3 H 3.369 0.02 2 750 410 77 ARG CA C 50.920 0.2 1 751 410 77 ARG CB C 26.600 0.2 1 752 410 77 ARG CG C 24.300 0.2 1 753 410 77 ARG CD C 40.000 0.2 1 754 410 77 ARG N N 117.152 0.1 1 755 411 78 ALA H H 8.121 0.02 1 756 411 78 ALA HA H 3.854 0.02 1 757 411 78 ALA HB H 1.442 0.02 1 758 411 78 ALA CA C 54.287 0.2 1 759 411 78 ALA CB C 17.691 0.2 1 760 411 78 ALA N N 123.065 0.1 1 761 412 79 ASP H H 8.916 0.02 1 762 412 79 ASP HA H 4.251 0.02 1 763 412 79 ASP HB2 H 2.770 0.02 2 764 412 79 ASP HB3 H 2.540 0.02 2 765 412 79 ASP CA C 55.566 0.2 1 766 412 79 ASP CB C 38.000 0.2 1 767 412 79 ASP N N 116.575 0.1 1 768 413 80 LEU H H 7.497 0.02 1 769 413 80 LEU HA H 4.134 0.02 1 770 413 80 LEU HB2 H 1.284 0.02 2 771 413 80 LEU HB3 H 1.960 0.02 2 772 413 80 LEU HG H 1.723 0.02 1 773 413 80 LEU HD1 H 0.810 0.02 2 774 413 80 LEU HD2 H 0.800 0.02 2 775 413 80 LEU CA C 56.251 0.2 1 776 413 80 LEU CB C 41.190 0.2 1 777 413 80 LEU CG C 26.500 0.2 1 778 413 80 LEU CD1 C 25.000 0.2 1 779 413 80 LEU CD2 C 22.200 0.2 1 780 413 80 LEU N N 120.881 0.1 1 781 414 81 VAL H H 7.158 0.02 1 782 414 81 VAL HA H 3.475 0.02 1 783 414 81 VAL HB H 2.267 0.02 1 784 414 81 VAL HG1 H 0.934 0.02 2 785 414 81 VAL HG2 H 0.998 0.02 2 786 414 81 VAL CA C 65.682 0.2 1 787 414 81 VAL CB C 31.000 0.2 1 788 414 81 VAL CG1 C 21.100 0.2 1 789 414 81 VAL CG2 C 23.300 0.2 1 790 414 81 VAL N N 117.403 0.1 1 791 415 82 GLU H H 8.023 0.02 1 792 415 82 GLU HA H 3.957 0.02 1 793 415 82 GLU HB2 H 2.033 0.02 2 794 415 82 GLU HB3 H 2.033 0.02 2 795 415 82 GLU HG2 H 2.240 0.02 2 796 415 82 GLU HG3 H 2.305 0.02 2 797 415 82 GLU CA C 58.698 0.2 1 798 415 82 GLU CB C 28.535 0.2 1 799 415 82 GLU CG C 35.450 0.2 1 800 415 82 GLU N N 118.645 0.1 1 801 416 83 SER H H 7.668 0.02 1 802 416 83 SER HA H 4.230 0.02 1 803 416 83 SER HB2 H 3.917 0.02 2 804 416 83 SER HB3 H 3.917 0.02 2 805 416 83 SER CA C 60.774 0.2 1 806 416 83 SER CB C 62.641 0.2 1 807 416 83 SER N N 113.570 0.1 1 808 417 84 LEU H H 7.727 0.02 1 809 417 84 LEU HA H 4.220 0.02 1 810 417 84 LEU HB2 H 1.867 0.02 2 811 417 84 LEU HB3 H 1.490 0.02 2 812 417 84 LEU HG H 1.753 0.02 1 813 417 84 LEU HD1 H 0.744 0.02 2 814 417 84 LEU HD2 H 0.860 0.02 2 815 417 84 LEU CA C 55.974 0.2 1 816 417 84 LEU CB C 42.477 0.2 1 817 417 84 LEU CG C 26.300 0.2 1 818 417 84 LEU CD1 C 24.861 0.2 1 819 417 84 LEU CD2 C 23.860 0.2 1 820 417 84 LEU N N 120.278 0.1 1 821 418 85 CYS H H 7.855 0.02 1 822 418 85 CYS HA H 4.490 0.02 1 823 418 85 CYS HB2 H 2.871 0.02 2 824 418 85 CYS HB3 H 2.980 0.02 2 825 418 85 CYS CA C 59.010 0.2 1 826 418 85 CYS CB C 27.300 0.2 1 827 418 85 CYS N N 116.200 0.1 1 828 419 86 SER H H 7.813 0.02 1 829 419 86 SER HA H 4.402 0.02 1 830 419 86 SER HB2 H 3.916 0.02 2 831 419 86 SER HB3 H 3.916 0.02 2 832 419 86 SER CA C 58.284 0.2 1 833 419 86 SER CB C 63.179 0.2 1 834 419 86 SER N N 116.680 0.1 1 835 420 87 GLU H H 8.456 0.02 1 836 420 87 GLU HA H 4.338 0.02 1 837 420 87 GLU HB2 H 1.940 0.02 2 838 420 87 GLU HB3 H 2.050 0.02 2 839 420 87 GLU HG2 H 2.245 0.02 2 840 420 87 GLU HG3 H 2.245 0.02 2 841 420 87 GLU CA C 56.021 0.2 1 842 420 87 GLU CB C 29.569 0.2 1 843 420 87 GLU CG C 35.650 0.2 1 844 420 87 GLU N N 122.629 0.1 1 845 421 88 SER H H 8.321 0.02 1 846 421 88 SER HA H 4.470 0.02 1 847 421 88 SER HB2 H 3.856 0.02 2 848 421 88 SER CA C 57.800 0.2 1 849 421 88 SER CB C 63.180 0.2 1 850 421 88 SER N N 116.600 0.1 1 851 422 89 THR H H 8.144 0.02 1 852 422 89 THR HA H 4.331 0.02 1 853 422 89 THR HB H 4.250 0.02 1 854 422 89 THR HG2 H 1.170 0.02 1 855 422 89 THR CA C 61.100 0.2 1 856 422 89 THR CB C 69.000 0.2 1 857 422 89 THR CG2 C 20.900 0.2 1 858 422 89 THR N N 115.756 0.1 1 859 423 90 ALA H H 8.233 0.02 1 860 423 90 ALA HA H 4.369 0.02 1 861 423 90 ALA HB H 1.380 0.02 1 862 423 90 ALA CA C 52.060 0.2 1 863 423 90 ALA CB C 18.600 0.2 1 864 423 90 ALA N N 126.280 0.1 1 865 424 91 THR H H 8.061 0.02 1 866 424 91 THR HA H 4.316 0.02 1 867 424 91 THR HB H 4.180 0.02 1 868 424 91 THR HG2 H 1.130 0.02 1 869 424 91 THR CA C 60.990 0.2 1 870 424 91 THR CB C 69.200 0.2 1 871 424 91 THR CG2 C 21.200 0.2 1 872 424 91 THR N N 113.047 0.1 1 873 425 92 SER H H 8.215 0.02 1 874 425 92 SER HA H 4.755 0.02 1 875 425 92 SER HB2 H 3.790 0.02 2 876 425 92 SER CA C 55.720 0.2 1 877 425 92 SER CB C 62.800 0.2 1 878 425 92 SER N N 119.479 0.1 1 879 426 93 PRO HA H 4.461 0.02 1 880 426 93 PRO CA C 62.851 0.2 1 881 426 93 PRO CB C 31.308 0.2 1 882 426 93 PRO CG C 26.533 0.2 1 883 426 93 PRO CD C 50.154 0.2 1 884 427 94 VAL H H 7.618 0.02 1 885 427 94 VAL HA H 4.000 0.02 1 886 427 94 VAL HB H 2.043 0.02 1 887 427 94 VAL HG1 H 0.850 0.02 2 888 427 94 VAL HG2 H 0.880 0.02 2 889 427 94 VAL CA C 62.850 0.2 1 890 427 94 VAL CB C 32.670 0.2 1 891 427 94 VAL CG1 C 19.400 0.2 1 892 427 94 VAL CG2 C 20.950 0.2 1 893 427 94 VAL N N 123.360 0.1 1 stop_ save_ save_assigned_chem_shift_list_2 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '2D 1H-15N HSQC' '2D 1H-13C HSQC aliphatic' '2D 1H-13C HSQC aromatic' '3D HNCA' '3D HN(CO)CA' '3D HCCH-TOCSY' '4D 13C, 15N-edited NOESY' stop_ loop_ _Sample_label $sample_2 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name entity_2 _Text_data_format . _Text_data . loop_ _Atom_shift_assign_ID _Residue_author_seq_code _Residue_seq_code _Residue_label _Atom_name _Atom_type _Chem_shift_value _Chem_shift_value_error _Chem_shift_ambiguity_code 1 31 1 ALA H H 8.464 0.02 1 2 31 1 ALA HA H 4.297 0.02 1 3 31 1 ALA HB H 1.350 0.02 1 4 31 1 ALA CA C 52.008 0.2 1 5 31 1 ALA CB C 18.500 0.2 1 6 31 1 ALA N N 126.045 0.1 1 7 32 2 GLN H H 8.266 0.02 1 8 32 2 GLN HA H 4.260 0.02 1 9 32 2 GLN HB2 H 2.020 0.02 2 10 32 2 GLN HB3 H 1.960 0.02 2 11 32 2 GLN HG2 H 2.296 0.02 2 12 32 2 GLN HE21 H 6.788 0.02 2 13 32 2 GLN CA C 55.200 0.2 1 14 32 2 GLN CB C 28.800 0.2 1 15 32 2 GLN CG C 33.200 0.2 1 16 32 2 GLN N N 119.668 0.1 1 17 32 2 GLN NE2 N 112.163 0.1 1 18 33 3 LYS H H 8.297 0.02 1 19 33 3 LYS HA H 4.302 0.02 1 20 33 3 LYS HB2 H 1.710 0.02 2 21 33 3 LYS HB3 H 1.790 0.02 2 22 33 3 LYS HG2 H 1.384 0.02 2 23 33 3 LYS HG3 H 1.384 0.02 2 24 33 3 LYS HD2 H 1.980 0.02 2 25 33 3 LYS HE2 H 2.920 0.02 2 26 33 3 LYS CA C 55.724 0.2 1 27 33 3 LYS CB C 32.750 0.2 1 28 33 3 LYS CG C 24.100 0.2 1 29 33 3 LYS CD C 28.450 0.2 1 30 33 3 LYS CE C 41.500 0.2 1 31 33 3 LYS N N 122.943 0.1 1 32 34 4 SER H H 8.393 0.02 1 33 34 4 SER HA H 4.439 0.02 1 34 34 4 SER HB2 H 3.889 0.02 2 35 34 4 SER HB3 H 3.889 0.02 2 36 34 4 SER CA C 57.470 0.2 1 37 34 4 SER CB C 63.395 0.2 1 38 34 4 SER N N 117.426 0.1 1 39 35 5 ILE H H 8.182 0.02 1 40 35 5 ILE HA H 4.100 0.02 1 41 35 5 ILE HB H 1.834 0.02 1 42 35 5 ILE HG12 H 1.420 0.02 1 43 35 5 ILE HG13 H 1.171 0.02 1 44 35 5 ILE HG2 H 0.873 0.02 1 45 35 5 ILE HD1 H 0.820 0.02 1 46 35 5 ILE CA C 61.084 0.2 1 47 35 5 ILE CB C 37.900 0.2 1 48 35 5 ILE CG1 C 26.800 0.2 1 49 35 5 ILE CG2 C 17.000 0.2 1 50 35 5 ILE CD1 C 12.300 0.2 1 51 35 5 ILE N N 121.967 0.1 1 52 36 6 GLN H H 8.257 0.02 1 53 36 6 GLN HA H 4.240 0.02 1 54 36 6 GLN HB2 H 1.980 0.02 2 55 36 6 GLN HB3 H 1.990 0.02 2 56 36 6 GLN HG2 H 2.330 0.02 2 57 36 6 GLN HG3 H 2.350 0.02 2 58 36 6 GLN CA C 55.850 0.2 1 59 36 6 GLN CB C 28.650 0.2 1 60 36 6 GLN CG C 33.300 0.2 1 61 36 6 GLN N N 122.765 0.1 1 62 37 7 GLU H H 8.215 0.02 1 63 37 7 GLU HA H 4.211 0.02 1 64 37 7 GLU HB2 H 1.974 0.02 2 65 37 7 GLU HB3 H 1.974 0.02 2 66 37 7 GLU HG2 H 2.220 0.02 2 67 37 7 GLU HG3 H 2.220 0.02 2 68 37 7 GLU CA C 56.320 0.2 1 69 37 7 GLU CB C 29.670 0.2 1 70 37 7 GLU CG C 35.800 0.2 1 71 37 7 GLU N N 121.814 0.1 1 72 38 8 ILE H H 8.071 0.02 1 73 38 8 ILE HA H 4.045 0.02 1 74 38 8 ILE HB H 1.828 0.02 1 75 38 8 ILE HG12 H 1.458 0.02 1 76 38 8 ILE HG13 H 1.134 0.02 1 77 38 8 ILE HG2 H 0.845 0.02 1 78 38 8 ILE HD1 H 0.790 0.02 1 79 38 8 ILE CA C 61.040 0.2 1 80 38 8 ILE CB C 37.900 0.2 1 81 38 8 ILE CG1 C 26.900 0.2 1 82 38 8 ILE CG2 C 16.900 0.2 1 83 38 8 ILE CD1 C 12.200 0.2 1 84 38 8 ILE N N 121.483 0.1 1 85 39 9 GLN H H 8.337 0.02 1 86 39 9 GLN HA H 4.262 0.02 1 87 39 9 GLN HB2 H 2.000 0.02 2 88 39 9 GLN HB3 H 1.990 0.02 2 89 39 9 GLN HG2 H 2.327 0.02 2 90 39 9 GLN HG3 H 2.327 0.02 2 91 39 9 GLN CA C 55.475 0.2 1 92 39 9 GLN CB C 28.800 0.2 1 93 39 9 GLN CG C 33.200 0.2 1 94 39 9 GLN N N 123.535 0.1 1 95 40 10 GLU H H 8.279 0.02 1 96 40 10 GLU HA H 4.215 0.02 1 97 40 10 GLU HB2 H 1.990 0.02 2 98 40 10 GLU HB3 H 1.950 0.02 2 99 40 10 GLU HG2 H 2.239 0.02 2 100 40 10 GLU HG3 H 2.239 0.02 2 101 40 10 GLU CA C 56.060 0.2 1 102 40 10 GLU CB C 29.485 0.2 1 103 40 10 GLU CG C 35.450 0.2 1 104 40 10 GLU N N 121.812 0.1 1 105 41 11 LEU H H 8.096 0.02 1 106 41 11 LEU HA H 4.262 0.02 1 107 41 11 LEU HB2 H 1.620 0.02 2 108 41 11 LEU HB3 H 1.580 0.02 2 109 41 11 LEU HG H 1.620 0.02 1 110 41 11 LEU HD1 H 0.840 0.02 2 111 41 11 LEU HD2 H 0.804 0.02 2 112 41 11 LEU CA C 54.770 0.2 1 113 41 11 LEU CB C 41.800 0.2 1 114 41 11 LEU CG C 26.300 0.2 1 115 41 11 LEU CD1 C 24.350 0.2 1 116 41 11 LEU CD2 C 22.600 0.2 1 117 41 11 LEU N N 122.436 0.1 1 118 42 12 ASP H H 8.280 0.02 1 119 42 12 ASP HA H 4.527 0.02 1 120 42 12 ASP HB2 H 2.650 0.02 2 121 42 12 ASP HB3 H 2.650 0.02 2 122 42 12 ASP CA C 53.813 0.2 1 123 42 12 ASP CB C 40.500 0.2 1 124 42 12 ASP N N 120.580 0.1 1 125 43 13 LYS H H 8.057 0.02 1 126 43 13 LYS HA H 4.232 0.02 1 127 43 13 LYS HB2 H 1.784 0.02 2 128 43 13 LYS HB3 H 1.784 0.02 2 129 43 13 LYS HG2 H 1.391 0.02 2 130 43 13 LYS HG3 H 1.391 0.02 2 131 43 13 LYS HD2 H 1.614 0.02 2 132 43 13 LYS HD3 H 1.614 0.02 2 133 43 13 LYS CA C 55.980 0.2 1 134 43 13 LYS CB C 32.342 0.2 1 135 43 13 LYS CG C 23.811 0.2 1 136 43 13 LYS CD C 28.400 0.2 1 137 43 13 LYS CE C 41.500 0.2 1 138 43 13 LYS N N 121.023 0.1 1 139 44 14 ASP H H 8.265 0.02 1 140 44 14 ASP HA H 4.530 0.02 1 141 44 14 ASP HB2 H 2.660 0.02 2 142 44 14 ASP HB3 H 2.660 0.02 2 143 44 14 ASP CA C 53.772 0.2 1 144 44 14 ASP CB C 40.562 0.2 1 145 44 14 ASP N N 120.845 0.1 1 146 45 15 ASP H H 8.170 0.02 1 147 45 15 ASP HA H 4.475 0.02 1 148 45 15 ASP HB2 H 2.686 0.02 2 149 45 15 ASP HB3 H 2.686 0.02 2 150 45 15 ASP CA C 54.690 0.2 1 151 45 15 ASP CB C 40.800 0.2 1 152 45 15 ASP N N 121.146 0.1 1 153 46 16 GLU H H 8.534 0.02 1 154 46 16 GLU HA H 4.081 0.02 1 155 46 16 GLU HB2 H 2.051 0.02 2 156 46 16 GLU HB3 H 2.051 0.02 2 157 46 16 GLU HG2 H 2.268 0.02 2 158 46 16 GLU HG3 H 2.268 0.02 2 159 46 16 GLU CA C 58.112 0.2 1 160 46 16 GLU CB C 28.900 0.2 1 161 46 16 GLU CG C 35.400 0.2 1 162 46 16 GLU N N 122.492 0.1 1 163 47 17 SER H H 8.336 0.02 1 164 47 17 SER HA H 4.171 0.02 1 165 47 17 SER HB2 H 3.905 0.02 2 166 47 17 SER HB3 H 3.905 0.02 2 167 47 17 SER CA C 60.587 0.2 1 168 47 17 SER CB C 62.173 0.2 1 169 47 17 SER N N 115.728 0.1 1 170 48 18 LEU H H 7.894 0.02 1 171 48 18 LEU HA H 4.261 0.02 1 172 48 18 LEU HB2 H 1.705 0.02 2 173 48 18 LEU HB3 H 1.705 0.02 2 174 48 18 LEU HG H 1.628 0.02 1 175 48 18 LEU HD1 H 0.892 0.02 2 176 48 18 LEU HD2 H 0.845 0.02 2 177 48 18 LEU CA C 56.151 0.2 1 178 48 18 LEU CB C 41.150 0.2 1 179 48 18 LEU CG C 26.370 0.2 1 180 48 18 LEU CD1 C 24.100 0.2 1 181 48 18 LEU CD2 C 23.250 0.2 1 182 48 18 LEU N N 122.750 0.1 1 183 49 19 ARG H H 7.944 0.02 1 184 49 19 ARG HA H 4.046 0.02 1 185 49 19 ARG HB2 H 1.860 0.02 2 186 49 19 ARG HB3 H 1.860 0.02 2 187 49 19 ARG HG2 H 1.655 0.02 2 188 49 19 ARG HG3 H 1.655 0.02 2 189 49 19 ARG HD2 H 3.160 0.02 2 190 49 19 ARG HD3 H 3.200 0.02 2 191 49 19 ARG CA C 58.204 0.2 1 192 49 19 ARG CB C 29.489 0.2 1 193 49 19 ARG CG C 26.830 0.2 1 194 49 19 ARG CD C 42.700 0.2 1 195 49 19 ARG N N 119.929 0.1 1 196 50 20 LYS H H 8.038 0.02 1 197 50 20 LYS HA H 4.054 0.02 1 198 50 20 LYS HB2 H 1.764 0.02 2 199 50 20 LYS HB3 H 1.764 0.02 2 200 50 20 LYS HG2 H 1.407 0.02 2 201 50 20 LYS HG3 H 1.407 0.02 2 202 50 20 LYS HD2 H 1.599 0.02 2 203 50 20 LYS HD3 H 1.599 0.02 2 204 50 20 LYS HE2 H 2.900 0.02 2 205 50 20 LYS CA C 57.700 0.2 1 206 50 20 LYS CB C 31.700 0.2 1 207 50 20 LYS CG C 24.400 0.2 1 208 50 20 LYS CD C 28.400 0.2 1 209 50 20 LYS CE C 41.400 0.2 1 210 50 20 LYS N N 119.009 0.1 1 211 51 21 TYR H H 7.927 0.02 1 212 51 21 TYR HA H 4.376 0.02 1 213 51 21 TYR HB2 H 3.080 0.02 2 214 51 21 TYR HB3 H 3.140 0.02 2 215 51 21 TYR HD2 H 7.089 0.02 3 216 51 21 TYR HE2 H 6.770 0.02 3 217 51 21 TYR CA C 59.029 0.2 1 218 51 21 TYR CB C 37.669 0.2 1 219 51 21 TYR CD2 C 132.442 0.2 3 220 51 21 TYR CE2 C 117.550 0.2 3 221 51 21 TYR N N 120.668 0.1 1 222 52 22 LYS H H 8.128 0.02 1 223 52 22 LYS HA H 3.960 0.02 1 224 52 22 LYS HB2 H 1.840 0.02 2 225 52 22 LYS HB3 H 1.840 0.02 2 226 52 22 LYS HG2 H 1.565 0.02 2 227 52 22 LYS HG3 H 1.420 0.02 2 228 52 22 LYS HD2 H 1.630 0.02 2 229 52 22 LYS HD3 H 1.630 0.02 2 230 52 22 LYS CA C 57.840 0.2 1 231 52 22 LYS CB C 31.980 0.2 1 232 52 22 LYS CG C 24.700 0.2 1 233 52 22 LYS CD C 28.700 0.2 1 234 52 22 LYS CE C 41.400 0.2 1 235 52 22 LYS N N 120.140 0.1 1 236 53 23 GLU H H 8.182 0.02 1 237 53 23 GLU HA H 4.010 0.02 1 238 53 23 GLU HB2 H 2.010 0.02 2 239 53 23 GLU HB3 H 2.010 0.02 2 240 53 23 GLU HG2 H 2.350 0.02 2 241 53 23 GLU HG3 H 2.230 0.02 2 242 53 23 GLU CA C 57.650 0.2 1 243 53 23 GLU CB C 29.119 0.2 1 244 53 23 GLU CG C 35.939 0.2 1 245 53 23 GLU N N 119.533 0.1 1 246 54 24 ALA H H 7.881 0.02 1 247 54 24 ALA HA H 4.183 0.02 1 248 54 24 ALA HB H 1.398 0.02 1 249 54 24 ALA CA C 52.965 0.2 1 250 54 24 ALA CB C 17.800 0.2 1 251 54 24 ALA N N 122.750 0.1 1 252 55 25 LEU H H 7.773 0.02 1 253 55 25 LEU HA H 4.113 0.02 1 254 55 25 LEU HB2 H 1.610 0.02 2 255 55 25 LEU HB3 H 1.540 0.02 2 256 55 25 LEU HG H 1.529 0.02 1 257 55 25 LEU HD1 H 0.792 0.02 2 258 55 25 LEU HD2 H 0.780 0.02 2 259 55 25 LEU CA C 55.510 0.2 1 260 55 25 LEU CB C 41.500 0.2 1 261 55 25 LEU CG C 26.050 0.2 1 262 55 25 LEU CD1 C 24.287 0.2 1 263 55 25 LEU CD2 C 22.600 0.2 1 264 55 25 LEU N N 119.426 0.1 1 265 56 26 LEU H H 7.798 0.02 1 266 56 26 LEU HA H 4.205 0.02 1 267 56 26 LEU HB2 H 1.687 0.02 2 268 56 26 LEU HB3 H 1.580 0.02 2 269 56 26 LEU HG H 1.650 0.02 1 270 56 26 LEU HD1 H 0.855 0.02 2 271 56 26 LEU HD2 H 0.826 0.02 2 272 56 26 LEU CA C 55.150 0.2 1 273 56 26 LEU CB C 41.460 0.2 1 274 56 26 LEU CG C 26.200 0.2 1 275 56 26 LEU CD1 C 24.400 0.2 1 276 56 26 LEU CD2 C 22.500 0.2 1 277 56 26 LEU N N 119.938 0.1 1 278 57 27 GLY H H 8.056 0.02 1 279 57 27 GLY HA2 H 3.904 0.02 2 280 57 27 GLY HA3 H 3.904 0.02 2 281 57 27 GLY CA C 44.900 0.2 1 282 57 27 GLY N N 107.906 0.1 1 283 58 28 ARG H H 7.899 0.02 1 284 58 28 ARG HA H 4.316 0.02 1 285 58 28 ARG HB2 H 1.830 0.02 2 286 58 28 ARG HB3 H 1.740 0.02 2 287 58 28 ARG HG2 H 1.600 0.02 2 288 58 28 ARG HG3 H 1.570 0.02 2 289 58 28 ARG HD2 H 3.140 0.02 2 290 58 28 ARG HD3 H 3.150 0.02 2 291 58 28 ARG CA C 55.500 0.2 1 292 58 28 ARG CB C 30.169 0.2 1 293 58 28 ARG CG C 26.460 0.2 1 294 58 28 ARG CD C 42.800 0.2 1 295 58 28 ARG N N 119.995 0.1 1 296 59 29 VAL H H 8.001 0.02 1 297 59 29 VAL HA H 4.061 0.02 1 298 59 29 VAL HB H 2.030 0.02 1 299 59 29 VAL HG1 H 0.890 0.02 2 300 59 29 VAL HG2 H 0.900 0.02 2 301 59 29 VAL CA C 61.537 0.2 1 302 59 29 VAL CB C 32.170 0.2 1 303 59 29 VAL CG1 C 20.400 0.2 1 304 59 29 VAL CG2 C 19.900 0.2 1 305 59 29 VAL N N 120.660 0.1 1 306 60 30 ALA H H 8.280 0.02 1 307 60 30 ALA HA H 4.315 0.02 1 308 60 30 ALA HB H 1.343 0.02 1 309 60 30 ALA CA C 51.810 0.2 1 310 60 30 ALA CB C 18.669 0.2 1 311 60 30 ALA N N 127.541 0.1 1 312 61 31 VAL H H 8.027 0.02 1 313 61 31 VAL HA H 4.096 0.02 1 314 61 31 VAL HB H 2.076 0.02 1 315 61 31 VAL HG1 H 0.907 0.02 2 316 61 31 VAL HG2 H 0.907 0.02 2 317 61 31 VAL CA C 61.606 0.2 1 318 61 31 VAL CB C 32.150 0.2 1 319 61 31 VAL CG1 C 20.440 0.2 1 320 61 31 VAL CG2 C 19.800 0.2 1 321 61 31 VAL N N 118.940 0.1 1 322 62 32 SER H H 8.210 0.02 1 323 62 32 SER HA H 4.376 0.02 1 324 62 32 SER HB2 H 3.796 0.02 2 325 62 32 SER HB3 H 3.796 0.02 2 326 62 32 SER CA C 57.576 0.2 1 327 62 32 SER CB C 63.226 0.2 1 328 62 32 SER N N 118.694 0.1 1 329 63 33 ALA H H 8.237 0.02 1 330 63 33 ALA HA H 4.293 0.02 1 331 63 33 ALA HB H 1.321 0.02 1 332 63 33 ALA CA C 51.457 0.2 1 333 63 33 ALA CB C 18.730 0.2 1 334 63 33 ALA N N 126.031 0.1 1 335 64 34 ASP H H 8.111 0.02 1 336 64 34 ASP HA H 4.747 0.02 1 337 64 34 ASP HB2 H 2.773 0.02 2 338 64 34 ASP HB3 H 2.502 0.02 2 339 64 34 ASP CA C 51.324 0.2 1 340 64 34 ASP CB C 40.868 0.2 1 341 64 34 ASP N N 121.744 0.1 1 342 65 35 PRO HA H 4.344 0.02 1 343 65 35 PRO HB2 H 2.240 0.02 2 344 65 35 PRO HB3 H 1.925 0.02 2 345 65 35 PRO HG2 H 1.900 0.02 2 346 65 35 PRO HG3 H 1.970 0.02 2 347 65 35 PRO HD2 H 3.815 0.02 2 348 65 35 PRO HD3 H 3.815 0.02 2 349 65 35 PRO CA C 62.980 0.2 1 350 65 35 PRO CB C 31.600 0.2 1 351 65 35 PRO CG C 26.200 0.2 1 352 65 35 PRO CD C 50.100 0.2 1 353 66 36 ASN H H 8.524 0.02 1 354 66 36 ASN HA H 4.650 0.02 1 355 66 36 ASN HB2 H 2.730 0.02 2 356 66 36 ASN HB3 H 2.785 0.02 2 357 66 36 ASN HD21 H 7.770 0.02 2 358 66 36 ASN HD22 H 6.902 0.02 2 359 66 36 ASN CA C 52.800 0.2 1 360 66 36 ASN CB C 38.300 0.2 1 361 66 36 ASN N N 117.301 0.1 1 362 66 36 ASN ND2 N 114.064 0.1 1 363 67 37 VAL H H 7.574 0.02 1 364 67 37 VAL HA H 4.408 0.02 1 365 67 37 VAL HB H 2.034 0.02 1 366 67 37 VAL HG1 H 0.900 0.02 2 367 67 37 VAL HG2 H 0.917 0.02 2 368 67 37 VAL CA C 59.077 0.2 1 369 67 37 VAL CB C 32.050 0.2 1 370 67 37 VAL CG1 C 19.850 0.2 1 371 67 37 VAL CG2 C 19.900 0.2 1 372 67 37 VAL N N 120.810 0.1 1 373 68 38 PRO HA H 4.500 0.02 1 374 68 38 PRO HB2 H 1.894 0.02 2 375 68 38 PRO HB3 H 2.420 0.02 2 376 68 38 PRO HG2 H 2.030 0.02 2 377 68 38 PRO HG3 H 2.030 0.02 2 378 68 38 PRO HD2 H 3.863 0.02 2 379 68 38 PRO HD3 H 3.504 0.02 2 380 68 38 PRO CA C 62.020 0.2 1 381 68 38 PRO CB C 31.600 0.2 1 382 68 38 PRO CG C 26.900 0.2 1 383 68 38 PRO CD C 50.300 0.2 1 384 69 39 ASN H H 8.901 0.02 1 385 69 39 ASN HA H 4.510 0.02 1 386 69 39 ASN HB2 H 2.880 0.02 2 387 69 39 ASN HB3 H 2.920 0.02 2 388 69 39 ASN HD21 H 7.578 0.02 2 389 69 39 ASN HD22 H 7.881 0.02 2 390 69 39 ASN CA C 55.980 0.2 1 391 69 39 ASN CB C 38.910 0.2 1 392 69 39 ASN N N 118.544 0.1 1 393 69 39 ASN ND2 N 117.920 0.1 1 394 70 40 VAL H H 7.705 0.02 1 395 70 40 VAL HA H 5.057 0.02 1 396 70 40 VAL HB H 1.660 0.02 1 397 70 40 VAL HG1 H 0.589 0.02 2 398 70 40 VAL HG2 H 0.452 0.02 2 399 70 40 VAL CA C 59.500 0.2 1 400 70 40 VAL CB C 32.600 0.2 1 401 70 40 VAL CG1 C 22.300 0.2 1 402 70 40 VAL CG2 C 19.900 0.2 1 403 70 40 VAL N N 114.160 0.1 1 404 71 41 VAL H H 8.432 0.02 1 405 71 41 VAL HA H 4.265 0.02 1 406 71 41 VAL HB H 1.673 0.02 1 407 71 41 VAL HG1 H 0.750 0.02 2 408 71 41 VAL HG2 H 0.790 0.02 2 409 71 41 VAL CA C 59.915 0.2 1 410 71 41 VAL CB C 34.300 0.2 1 411 71 41 VAL CG1 C 20.000 0.2 1 412 71 41 VAL CG2 C 20.300 0.2 1 413 71 41 VAL N N 125.930 0.1 1 414 72 42 VAL H H 8.885 0.02 1 415 72 42 VAL HA H 3.850 0.02 1 416 72 42 VAL HB H 1.785 0.02 1 417 72 42 VAL HG1 H 0.375 0.02 2 418 72 42 VAL HG2 H 0.404 0.02 2 419 72 42 VAL CA C 61.800 0.2 1 420 72 42 VAL CB C 29.800 0.2 1 421 72 42 VAL CG1 C 21.400 0.2 1 422 72 42 VAL CG2 C 21.000 0.2 1 423 72 42 VAL N N 130.198 0.1 1 424 73 43 THR H H 8.622 0.02 1 425 73 43 THR HA H 4.170 0.02 1 426 73 43 THR HG2 H 0.900 0.02 1 427 73 43 THR CA C 61.500 0.2 1 428 73 43 THR CB C 68.300 0.2 1 429 73 43 THR CG2 C 21.900 0.2 1 430 73 43 THR N N 116.425 0.1 1 431 74 44 GLY HA2 H 4.410 0.02 2 432 74 44 GLY HA3 H 4.420 0.02 2 433 74 44 GLY CA C 45.500 0.2 1 434 75 45 LEU H H 7.827 0.02 1 435 75 45 LEU HA H 5.148 0.02 1 436 75 45 LEU HB2 H 1.360 0.02 2 437 75 45 LEU HG H 1.251 0.02 1 438 75 45 LEU HD1 H 0.510 0.02 2 439 75 45 LEU HD2 H 0.010 0.02 2 440 75 45 LEU CA C 53.573 0.2 1 441 75 45 LEU CB C 45.200 0.2 1 442 75 45 LEU CG C 26.620 0.2 1 443 75 45 LEU CD1 C 27.500 0.2 1 444 75 45 LEU CD2 C 23.200 0.2 1 445 75 45 LEU N N 122.190 0.1 1 446 76 46 THR H H 9.388 0.02 1 447 76 46 THR HA H 5.000 0.02 1 448 76 46 THR HB H 3.724 0.02 1 449 76 46 THR HG2 H 1.010 0.02 1 450 76 46 THR CA C 60.490 0.2 1 451 76 46 THR CB C 71.384 0.2 1 452 76 46 THR CG2 C 20.900 0.2 1 453 76 46 THR N N 123.196 0.1 1 454 77 47 LEU HA H 4.907 0.02 1 455 77 47 LEU HB2 H 1.153 0.02 2 456 77 47 LEU HB3 H 1.518 0.02 2 457 77 47 LEU HG H 1.296 0.02 1 458 77 47 LEU HD1 H 0.600 0.02 2 459 77 47 LEU HD2 H 0.745 0.02 2 460 77 47 LEU CA C 53.660 0.2 1 461 77 47 LEU CB C 40.800 0.2 1 462 77 47 LEU CG C 27.300 0.2 1 463 77 47 LEU CD1 C 25.400 0.2 1 464 77 47 LEU CD2 C 24.200 0.2 1 465 78 48 VAL H H 9.075 0.02 1 466 78 48 VAL HA H 3.871 0.02 1 467 78 48 VAL HB H 1.833 0.02 1 468 78 48 VAL HG1 H 0.770 0.02 2 469 78 48 VAL HG2 H 0.780 0.02 2 470 78 48 VAL CA C 61.582 0.2 1 471 78 48 VAL CB C 31.110 0.2 1 472 78 48 VAL CG1 C 19.950 0.2 1 473 78 48 VAL CG2 C 19.900 0.2 1 474 78 48 VAL N N 127.110 0.1 1 475 79 49 CYS H H 8.733 0.02 1 476 79 49 CYS HA H 4.853 0.02 1 477 79 49 CYS HB2 H 2.901 0.02 2 478 79 49 CYS HB3 H 2.530 0.02 2 479 79 49 CYS CA C 57.835 0.2 1 480 79 49 CYS CB C 27.200 0.2 1 481 79 49 CYS N N 129.343 0.1 1 482 80 50 SER HA H 4.229 0.02 1 483 80 50 SER HB2 H 3.967 0.02 2 484 80 50 SER HB3 H 3.967 0.02 2 485 80 50 SER CA C 60.830 0.2 1 486 80 50 SER CB C 62.500 0.2 1 487 81 51 SER H H 7.814 0.02 1 488 81 51 SER HA H 4.469 0.02 1 489 81 51 SER HB2 H 4.195 0.02 2 490 81 51 SER HB3 H 3.971 0.02 2 491 81 51 SER CA C 57.334 0.2 1 492 81 51 SER CB C 63.352 0.2 1 493 81 51 SER N N 113.350 0.1 1 494 82 52 ALA H H 6.986 0.02 1 495 82 52 ALA HA H 2.714 0.02 1 496 82 52 ALA HB H 1.151 0.02 1 497 82 52 ALA CA C 49.160 0.2 1 498 82 52 ALA CB C 17.414 0.2 1 499 82 52 ALA N N 124.181 0.1 1 500 83 53 PRO HA H 4.128 0.02 1 501 83 53 PRO HB2 H 1.840 0.02 2 502 83 53 PRO HB3 H 1.960 0.02 2 503 83 53 PRO HG2 H 1.774 0.02 2 504 83 53 PRO HG3 H 1.585 0.02 2 505 83 53 PRO HD2 H 2.761 0.02 2 506 83 53 PRO HD3 H 1.950 0.02 2 507 83 53 PRO CA C 62.882 0.2 1 508 83 53 PRO CB C 30.800 0.2 1 509 83 53 PRO CG C 26.100 0.2 1 510 83 53 PRO CD C 49.100 0.2 1 511 84 54 GLY H H 7.109 0.02 1 512 84 54 GLY HA2 H 3.760 0.02 2 513 84 54 GLY HA3 H 4.248 0.02 2 514 84 54 GLY CA C 43.780 0.2 1 515 84 54 GLY N N 106.168 0.1 1 516 85 55 PRO HA H 4.238 0.02 1 517 85 55 PRO HB2 H 1.760 0.02 2 518 85 55 PRO HB3 H 2.180 0.02 2 519 85 55 PRO HD2 H 3.487 0.02 2 520 85 55 PRO CA C 62.280 0.2 1 521 85 55 PRO CB C 31.870 0.2 1 522 85 55 PRO CG C 26.550 0.2 1 523 85 55 PRO CD C 48.915 0.2 1 524 86 56 LEU H H 8.783 0.02 1 525 86 56 LEU HA H 4.430 0.02 1 526 86 56 LEU HB2 H 1.870 0.02 2 527 86 56 LEU HG H 1.620 0.02 1 528 86 56 LEU HD1 H 0.840 0.02 2 529 86 56 LEU HD2 H 0.947 0.02 2 530 86 56 LEU CA C 52.800 0.2 1 531 86 56 LEU CB C 41.300 0.2 1 532 86 56 LEU CG C 25.150 0.2 1 533 86 56 LEU CD1 C 25.800 0.2 1 534 86 56 LEU CD2 C 24.300 0.2 1 535 86 56 LEU N N 126.867 0.1 1 536 87 57 GLU HA H 5.110 0.02 1 537 87 57 GLU HB2 H 1.855 0.02 2 538 87 57 GLU HB3 H 2.030 0.02 2 539 87 57 GLU HG2 H 2.130 0.02 2 540 87 57 GLU HG3 H 2.160 0.02 2 541 87 57 GLU CA C 54.200 0.2 1 542 87 57 GLU CB C 33.400 0.2 1 543 87 57 GLU CG C 35.320 0.2 1 544 88 58 LEU HA H 4.430 0.02 1 545 88 58 LEU HB2 H 1.233 0.02 2 546 88 58 LEU HB3 H 0.714 0.02 2 547 88 58 LEU HG H 1.242 0.02 1 548 88 58 LEU HD1 H 0.057 0.02 2 549 88 58 LEU HD2 H 0.149 0.02 2 550 88 58 LEU CA C 52.870 0.2 1 551 88 58 LEU CB C 43.500 0.2 1 552 88 58 LEU CG C 25.230 0.2 1 553 88 58 LEU CD1 C 22.270 0.2 1 554 88 58 LEU CD2 C 24.000 0.2 1 555 90 60 LEU HD1 H -0.470 0.02 2 556 90 60 LEU HD2 H -0.240 0.02 2 557 90 60 LEU CA C 54.200 0.2 1 558 90 60 LEU CB C 38.900 0.2 1 559 90 60 LEU CD1 C 25.200 0.2 1 560 90 60 LEU CD2 C 21.300 0.2 1 561 91 61 THR H H 8.410 0.02 1 562 91 61 THR HA H 4.425 0.02 1 563 91 61 THR HB H 4.370 0.02 1 564 91 61 THR HG2 H 1.180 0.02 1 565 91 61 THR CA C 61.780 0.2 1 566 91 61 THR CB C 71.600 0.2 1 567 91 61 THR CG2 C 21.250 0.2 1 568 91 61 THR N N 110.250 0.1 1 569 92 62 GLY H H 7.338 0.02 1 570 92 62 GLY HA2 H 4.350 0.02 2 571 92 62 GLY HA3 H 3.562 0.02 2 572 92 62 GLY CA C 43.600 0.2 1 573 92 62 GLY N N 110.436 0.1 1 574 93 63 ASP H H 8.155 0.02 1 575 93 63 ASP HA H 4.440 0.02 1 576 93 63 ASP HB2 H 2.600 0.02 2 577 93 63 ASP CA C 53.160 0.2 1 578 93 63 ASP CB C 40.100 0.2 1 579 93 63 ASP N N 120.299 0.1 1 580 94 64 LEU H H 8.496 0.02 1 581 94 64 LEU HA H 3.716 0.02 1 582 94 64 LEU HB2 H 1.877 0.02 2 583 94 64 LEU HB3 H 1.670 0.02 2 584 94 64 LEU HG H 1.921 0.02 1 585 94 64 LEU HD1 H 1.191 0.02 2 586 94 64 LEU HD2 H 0.925 0.02 2 587 94 64 LEU CA C 55.620 0.2 1 588 94 64 LEU CB C 41.165 0.2 1 589 94 64 LEU CG C 26.330 0.2 1 590 94 64 LEU CD1 C 25.400 0.2 1 591 94 64 LEU CD2 C 23.000 0.2 1 592 94 64 LEU N N 126.521 0.1 1 593 95 65 GLU H H 8.182 0.02 1 594 95 65 GLU HA H 3.990 0.02 1 595 95 65 GLU HB2 H 2.080 0.02 2 596 95 65 GLU HB3 H 2.070 0.02 2 597 95 65 GLU HG2 H 2.320 0.02 2 598 95 65 GLU HG3 H 2.300 0.02 2 599 95 65 GLU CA C 58.100 0.2 1 600 95 65 GLU CB C 28.400 0.2 1 601 95 65 GLU CG C 35.263 0.2 1 602 95 65 GLU N N 118.930 0.1 1 603 96 66 SER H H 7.691 0.02 1 604 96 66 SER HA H 4.066 0.02 1 605 96 66 SER HB2 H 3.783 0.02 2 606 96 66 SER HB3 H 3.783 0.02 2 607 96 66 SER CA C 60.550 0.2 1 608 96 66 SER CB C 62.372 0.2 1 609 96 66 SER N N 114.490 0.1 1 610 97 67 PHE H H 7.071 0.02 1 611 97 67 PHE HA H 4.630 0.02 1 612 97 67 PHE HB2 H 3.709 0.02 2 613 97 67 PHE HB3 H 3.412 0.02 2 614 97 67 PHE HD1 H 7.270 0.02 3 615 97 67 PHE HE1 H 7.240 0.02 3 616 97 67 PHE HZ H 7.220 0.02 1 617 97 67 PHE CA C 56.812 0.2 1 618 97 67 PHE CB C 36.700 0.2 1 619 97 67 PHE CD1 C 130.100 0.2 3 620 97 67 PHE CE1 C 131.200 0.2 3 621 97 67 PHE CZ C 129.400 0.2 1 622 97 67 PHE N N 120.242 0.1 1 623 98 68 LYS H H 7.572 0.02 1 624 98 68 LYS HA H 4.040 0.02 1 625 98 68 LYS HB2 H 1.860 0.02 2 626 98 68 LYS HB3 H 1.970 0.02 2 627 98 68 LYS HG2 H 1.627 0.02 2 628 98 68 LYS HG3 H 1.435 0.02 2 629 98 68 LYS HD2 H 1.726 0.02 2 630 98 68 LYS HD3 H 1.726 0.02 2 631 98 68 LYS HE2 H 2.952 0.02 2 632 98 68 LYS CA C 58.300 0.2 1 633 98 68 LYS CB C 32.000 0.2 1 634 98 68 LYS CG C 25.400 0.2 1 635 98 68 LYS CD C 28.900 0.2 1 636 98 68 LYS CE C 41.400 0.2 1 637 98 68 LYS N N 116.493 0.1 1 638 99 69 LYS H H 7.349 0.02 1 639 99 69 LYS HA H 4.444 0.02 1 640 99 69 LYS HB2 H 1.845 0.02 2 641 99 69 LYS HB3 H 2.083 0.02 2 642 99 69 LYS HG2 H 1.420 0.02 2 643 99 69 LYS HG3 H 1.420 0.02 2 644 99 69 LYS HD2 H 1.650 0.02 2 645 99 69 LYS HD3 H 1.650 0.02 2 646 99 69 LYS CA C 54.910 0.2 1 647 99 69 LYS CB C 32.141 0.2 1 648 99 69 LYS CG C 24.365 0.2 1 649 99 69 LYS CD C 28.530 0.2 1 650 99 69 LYS CE C 41.400 0.2 1 651 99 69 LYS N N 115.409 0.1 1 652 100 70 GLN H H 7.550 0.02 1 653 100 70 GLN HA H 4.710 0.02 1 654 100 70 GLN HB2 H 2.146 0.02 2 655 100 70 GLN HB3 H 1.890 0.02 2 656 100 70 GLN HG2 H 2.320 0.02 2 657 100 70 GLN CA C 53.700 0.2 1 658 100 70 GLN CB C 31.800 0.2 1 659 100 70 GLN CG C 33.300 0.2 1 660 100 70 GLN N N 119.122 0.1 1 661 102 72 PHE HD2 H 7.240 0.02 3 662 102 72 PHE HE2 H 7.265 0.02 3 663 102 72 PHE CD2 C 131.100 0.2 3 664 102 72 PHE CE2 C 130.000 0.2 3 665 103 73 VAL HA H 4.941 0.02 1 666 103 73 VAL HB H 2.150 0.02 1 667 103 73 VAL HG1 H 0.870 0.02 2 668 103 73 VAL HG2 H 0.850 0.02 2 669 103 73 VAL CA C 61.260 0.2 1 670 103 73 VAL CB C 32.400 0.2 1 671 103 73 VAL CG1 C 20.300 0.2 1 672 103 73 VAL CG2 C 20.500 0.2 1 673 104 74 LEU H H 8.481 0.02 1 674 104 74 LEU HA H 4.680 0.02 1 675 104 74 LEU HB2 H 1.104 0.02 2 676 104 74 LEU HD1 H 0.700 0.02 2 677 104 74 LEU HD2 H 0.290 0.02 2 678 104 74 LEU CA C 52.400 0.2 1 679 104 74 LEU CB C 45.300 0.2 1 680 104 74 LEU CD1 C 23.100 0.2 1 681 104 74 LEU CD2 C 25.000 0.2 1 682 104 74 LEU N N 124.731 0.1 1 683 105 75 LYS HA H 3.441 0.02 1 684 105 75 LYS HG2 H 1.330 0.02 2 685 105 75 LYS HG3 H 1.330 0.02 2 686 105 75 LYS HD2 H 1.665 0.02 2 687 105 75 LYS CA C 54.250 0.2 1 688 105 75 LYS CB C 32.000 0.2 1 689 105 75 LYS CG C 24.100 0.2 1 690 105 75 LYS CD C 28.300 0.2 1 691 105 75 LYS CE C 41.400 0.2 1 692 106 76 GLU H H 8.010 0.02 1 693 106 76 GLU HA H 3.890 0.02 1 694 106 76 GLU HB2 H 1.646 0.02 2 695 106 76 GLU HB3 H 1.646 0.02 2 696 106 76 GLU HG2 H 2.317 0.02 2 697 106 76 GLU HG3 H 1.979 0.02 2 698 106 76 GLU CA C 55.720 0.2 1 699 106 76 GLU CB C 29.000 0.2 1 700 106 76 GLU CG C 33.750 0.2 1 701 106 76 GLU N N 122.175 0.1 1 702 107 77 GLY HA2 H 3.800 0.02 2 703 107 77 GLY HA3 H 3.790 0.02 2 704 107 77 GLY CA C 45.250 0.2 1 705 108 78 VAL H H 7.015 0.02 1 706 108 78 VAL HA H 4.265 0.02 1 707 108 78 VAL HB H 2.198 0.02 1 708 108 78 VAL HG1 H 0.963 0.02 2 709 108 78 VAL HG2 H 1.152 0.02 2 710 108 78 VAL CA C 61.270 0.2 1 711 108 78 VAL CB C 32.338 0.2 1 712 108 78 VAL CG1 C 21.084 0.2 1 713 108 78 VAL CG2 C 19.146 0.2 1 714 108 78 VAL N N 115.091 0.1 1 715 109 79 GLU H H 8.253 0.02 1 716 109 79 GLU HA H 5.168 0.02 1 717 109 79 GLU HB2 H 2.006 0.02 2 718 109 79 GLU HB3 H 1.830 0.02 2 719 109 79 GLU HG2 H 2.432 0.02 2 720 109 79 GLU HG3 H 2.038 0.02 2 721 109 79 GLU CA C 54.900 0.2 1 722 109 79 GLU CB C 30.700 0.2 1 723 109 79 GLU CG C 36.536 0.2 1 724 109 79 GLU N N 121.477 0.1 1 725 110 80 TYR H H 9.297 0.02 1 726 110 80 TYR HA H 5.419 0.02 1 727 110 80 TYR HB2 H 2.940 0.02 2 728 110 80 TYR HD1 H 6.810 0.02 3 729 110 80 TYR HE1 H 6.350 0.02 3 730 110 80 TYR CA C 55.708 0.2 1 731 110 80 TYR CB C 40.400 0.2 1 732 110 80 TYR CD1 C 132.600 0.2 3 733 110 80 TYR CE1 C 116.100 0.2 3 734 110 80 TYR N N 121.495 0.1 1 735 111 81 ARG H H 8.466 0.02 1 736 111 81 ARG HA H 4.450 0.02 1 737 111 81 ARG HB2 H 1.342 0.02 2 738 111 81 ARG HG2 H 1.334 0.02 2 739 111 81 ARG HG3 H 1.525 0.02 2 740 111 81 ARG HD2 H 3.030 0.02 2 741 111 81 ARG HD3 H 2.960 0.02 2 742 111 81 ARG HE H 7.310 0.02 1 743 111 81 ARG CA C 53.316 0.2 1 744 111 81 ARG CB C 34.300 0.2 1 745 111 81 ARG CG C 25.600 0.2 1 746 111 81 ARG CD C 43.500 0.2 1 747 111 81 ARG N N 114.883 0.1 1 748 111 81 ARG NE N 83.493 0.1 1 749 112 82 ILE H H 8.210 0.02 1 750 112 82 ILE HA H 4.560 0.02 1 751 112 82 ILE HB H 1.930 0.02 1 752 112 82 ILE HG2 H 0.751 0.02 1 753 112 82 ILE HD1 H 1.330 0.02 1 754 112 82 ILE CA C 60.298 0.2 1 755 112 82 ILE CB C 38.200 0.2 1 756 112 82 ILE CG1 C 27.900 0.2 1 757 112 82 ILE CG2 C 16.900 0.2 1 758 112 82 ILE CD1 C 13.770 0.2 1 759 112 82 ILE N N 122.100 0.1 1 760 113 83 LYS H H 9.170 0.02 1 761 113 83 LYS HA H 5.524 0.02 1 762 113 83 LYS HB2 H 1.730 0.02 2 763 113 83 LYS HB3 H 1.210 0.02 2 764 113 83 LYS HD2 H 1.252 0.02 2 765 113 83 LYS CA C 52.790 0.2 1 766 113 83 LYS CB C 35.100 0.2 1 767 113 83 LYS CD C 28.500 0.2 1 768 113 83 LYS N N 127.310 0.1 1 769 114 84 ILE H H 9.561 0.02 1 770 114 84 ILE HA H 4.938 0.02 1 771 114 84 ILE HB H 1.861 0.02 1 772 114 84 ILE HG12 H 1.060 0.02 1 773 114 84 ILE HG13 H 1.060 0.02 1 774 114 84 ILE HG2 H 0.703 0.02 1 775 114 84 ILE HD1 H 0.510 0.02 1 776 114 84 ILE CA C 57.934 0.2 1 777 114 84 ILE CB C 39.000 0.2 1 778 114 84 ILE CG1 C 26.800 0.2 1 779 114 84 ILE CG2 C 17.400 0.2 1 780 114 84 ILE CD1 C 11.200 0.2 1 781 114 84 ILE N N 129.480 0.1 1 782 115 85 SER H H 8.650 0.02 1 783 115 85 SER HA H 5.560 0.02 1 784 115 85 SER HB2 H 3.486 0.02 2 785 115 85 SER HB3 H 3.486 0.02 2 786 115 85 SER CA C 55.900 0.2 1 787 115 85 SER CB C 64.500 0.2 1 788 115 85 SER N N 122.820 0.1 1 789 116 86 PHE H H 8.458 0.02 1 790 116 86 PHE HA H 5.286 0.02 1 791 116 86 PHE HB2 H 2.730 0.02 2 792 116 86 PHE HB3 H 2.440 0.02 2 793 116 86 PHE HD2 H 6.580 0.02 3 794 116 86 PHE HE2 H 6.430 0.02 3 795 116 86 PHE CA C 55.196 0.2 1 796 116 86 PHE CB C 40.000 0.2 1 797 116 86 PHE CD2 C 131.520 0.2 3 798 116 86 PHE CE2 C 129.600 0.2 3 799 116 86 PHE N N 117.830 0.1 1 800 117 87 ARG H H 9.333 0.02 1 801 117 87 ARG HA H 4.891 0.02 1 802 117 87 ARG HB2 H 1.664 0.02 2 803 117 87 ARG HB3 H 1.500 0.02 2 804 117 87 ARG HG2 H 1.390 0.02 2 805 117 87 ARG HG3 H 1.430 0.02 2 806 117 87 ARG HD2 H 3.160 0.02 2 807 117 87 ARG HD3 H 3.160 0.02 2 808 117 87 ARG HE H 7.274 0.02 1 809 117 87 ARG CA C 53.343 0.2 1 810 117 87 ARG CB C 33.700 0.2 1 811 117 87 ARG CG C 27.700 0.2 1 812 117 87 ARG CD C 42.600 0.2 1 813 117 87 ARG N N 119.807 0.1 1 814 117 87 ARG NE N 84.240 0.1 1 815 118 88 VAL H H 8.856 0.02 1 816 118 88 VAL HA H 4.670 0.02 1 817 118 88 VAL HB H 2.170 0.02 1 818 118 88 VAL HG1 H 0.970 0.02 2 819 118 88 VAL HG2 H 0.800 0.02 2 820 118 88 VAL CA C 60.900 0.2 1 821 118 88 VAL CB C 32.500 0.2 1 822 118 88 VAL CG1 C 20.800 0.2 1 823 118 88 VAL CG2 C 21.600 0.2 1 824 118 88 VAL N N 122.225 0.1 1 825 119 89 ASN H H 9.660 0.02 1 826 119 89 ASN HA H 4.850 0.02 1 827 119 89 ASN HB2 H 2.780 0.02 2 828 119 89 ASN HB3 H 2.630 0.02 2 829 119 89 ASN CA C 55.298 0.2 1 830 119 89 ASN CB C 40.800 0.2 1 831 119 89 ASN N N 121.676 0.1 1 832 120 90 ARG H H 8.827 0.02 1 833 120 90 ARG HA H 4.630 0.02 1 834 120 90 ARG HB2 H 1.824 0.02 2 835 120 90 ARG HB3 H 1.824 0.02 2 836 120 90 ARG HG2 H 1.480 0.02 2 837 120 90 ARG HG3 H 1.440 0.02 2 838 120 90 ARG HD2 H 3.230 0.02 2 839 120 90 ARG HE H 7.475 0.02 1 840 120 90 ARG CA C 57.800 0.2 1 841 120 90 ARG CB C 33.900 0.2 1 842 120 90 ARG CG C 27.500 0.2 1 843 120 90 ARG CD C 42.500 0.2 1 844 120 90 ARG N N 116.942 0.1 1 845 120 90 ARG NE N 83.728 0.1 1 846 121 91 GLU H H 9.022 0.02 1 847 121 91 GLU HA H 4.730 0.02 1 848 121 91 GLU HB2 H 1.828 0.02 2 849 121 91 GLU HB3 H 2.029 0.02 2 850 121 91 GLU HG2 H 2.159 0.02 2 851 121 91 GLU HG3 H 2.159 0.02 2 852 121 91 GLU CA C 54.070 0.2 1 853 121 91 GLU CB C 32.680 0.2 1 854 121 91 GLU CG C 34.919 0.2 1 855 121 91 GLU N N 120.923 0.1 1 856 122 92 ILE H H 8.341 0.02 1 857 122 92 ILE HA H 4.259 0.02 1 858 122 92 ILE HB H 1.670 0.02 1 859 122 92 ILE HG12 H 1.630 0.02 1 860 122 92 ILE HG13 H 1.020 0.02 1 861 122 92 ILE HG2 H 0.761 0.02 1 862 122 92 ILE HD1 H 0.850 0.02 1 863 122 92 ILE CA C 61.870 0.2 1 864 122 92 ILE CB C 38.600 0.2 1 865 122 92 ILE CG1 C 28.400 0.2 1 866 122 92 ILE CG2 C 16.100 0.2 1 867 122 92 ILE CD1 C 13.400 0.2 1 868 122 92 ILE N N 120.500 0.1 1 869 123 93 VAL H H 8.496 0.02 1 870 123 93 VAL HA H 4.439 0.02 1 871 123 93 VAL HB H 2.053 0.02 1 872 123 93 VAL HG1 H 1.060 0.02 2 873 123 93 VAL HG2 H 1.020 0.02 2 874 123 93 VAL CA C 59.950 0.2 1 875 123 93 VAL CB C 33.700 0.2 1 876 123 93 VAL CG1 C 22.200 0.2 1 877 123 93 VAL CG2 C 20.900 0.2 1 878 123 93 VAL N N 126.337 0.1 1 879 124 94 SER H H 8.674 0.02 1 880 124 94 SER HA H 4.780 0.02 1 881 124 94 SER HB2 H 3.680 0.02 2 882 124 94 SER HB3 H 3.740 0.02 2 883 124 94 SER CA C 56.180 0.2 1 884 124 94 SER CB C 64.100 0.2 1 885 124 94 SER N N 120.237 0.1 1 886 125 95 GLY H H 8.165 0.02 1 887 125 95 GLY HA2 H 3.540 0.02 2 888 125 95 GLY HA3 H 3.710 0.02 2 889 125 95 GLY CA C 46.654 0.2 1 890 125 95 GLY N N 112.480 0.1 1 891 126 96 MET H H 8.352 0.02 1 892 126 96 MET HA H 4.550 0.02 1 893 126 96 MET HB2 H 1.970 0.02 2 894 126 96 MET HB3 H 1.490 0.02 2 895 126 96 MET HG2 H 2.450 0.02 2 896 126 96 MET HG3 H 1.930 0.02 2 897 126 96 MET HE H 1.445 0.02 1 898 126 96 MET CA C 56.300 0.2 1 899 126 96 MET CB C 32.600 0.2 1 900 126 96 MET CG C 33.300 0.2 1 901 126 96 MET CE C 18.380 0.2 1 902 126 96 MET N N 117.289 0.1 1 903 127 97 LYS H H 8.390 0.02 1 904 127 97 LYS HA H 4.803 0.02 1 905 127 97 LYS HB2 H 1.430 0.02 2 906 127 97 LYS HB3 H 1.390 0.02 2 907 127 97 LYS HG2 H 1.130 0.02 2 908 127 97 LYS HG3 H 1.290 0.02 2 909 127 97 LYS HD2 H 1.670 0.02 2 910 127 97 LYS HE2 H 2.750 0.02 2 911 127 97 LYS CA C 54.692 0.2 1 912 127 97 LYS CB C 36.180 0.2 1 913 127 97 LYS CG C 23.800 0.2 1 914 127 97 LYS CD C 28.700 0.2 1 915 127 97 LYS CE C 41.000 0.2 1 916 127 97 LYS N N 123.750 0.1 1 917 128 98 TYR H H 8.648 0.02 1 918 128 98 TYR HA H 5.436 0.02 1 919 128 98 TYR HB2 H 2.680 0.02 2 920 128 98 TYR HD1 H 7.153 0.02 3 921 128 98 TYR HE1 H 6.740 0.02 3 922 128 98 TYR CA C 54.700 0.2 1 923 128 98 TYR CB C 40.400 0.2 1 924 128 98 TYR CD1 C 132.227 0.2 3 925 128 98 TYR CE1 C 117.330 0.2 3 926 128 98 TYR N N 123.920 0.1 1 927 129 99 ILE H H 8.718 0.02 1 928 129 99 ILE HA H 4.440 0.02 1 929 129 99 ILE HB H 1.393 0.02 1 930 129 99 ILE HG12 H 1.246 0.02 1 931 129 99 ILE HG13 H 0.900 0.02 1 932 129 99 ILE HG2 H 0.611 0.02 1 933 129 99 ILE HD1 H 0.652 0.02 1 934 129 99 ILE CA C 59.000 0.2 1 935 129 99 ILE CB C 40.400 0.2 1 936 129 99 ILE CG1 C 26.430 0.2 1 937 129 99 ILE CG2 C 16.865 0.2 1 938 129 99 ILE CD1 C 13.720 0.2 1 939 129 99 ILE N N 128.128 0.1 1 940 130 100 GLN H H 8.546 0.02 1 941 130 100 GLN HA H 5.035 0.02 1 942 130 100 GLN HB2 H 1.678 0.02 2 943 130 100 GLN HB3 H 1.891 0.02 2 944 130 100 GLN HG2 H 1.670 0.02 2 945 130 100 GLN CA C 53.990 0.2 1 946 130 100 GLN CB C 32.648 0.2 1 947 130 100 GLN CG C 35.100 0.2 1 948 130 100 GLN N N 124.320 0.1 1 949 131 101 HIS H H 9.451 0.02 1 950 131 101 HIS HA H 5.267 0.02 1 951 131 101 HIS HB2 H 3.263 0.02 2 952 131 101 HIS HD2 H 6.720 0.02 1 953 131 101 HIS CA C 53.836 0.2 1 954 131 101 HIS CB C 34.000 0.2 1 955 131 101 HIS CD2 C 117.300 0.2 1 956 131 101 HIS N N 129.028 0.1 1 957 132 102 THR H H 8.698 0.02 1 958 132 102 THR HA H 4.880 0.02 1 959 132 102 THR HB H 3.759 0.02 1 960 132 102 THR HG2 H 1.170 0.02 1 961 132 102 THR CA C 62.300 0.2 1 962 132 102 THR CB C 69.280 0.2 1 963 132 102 THR CG2 C 21.090 0.2 1 964 132 102 THR N N 119.790 0.1 1 965 133 103 TYR H H 9.944 0.02 1 966 133 103 TYR HA H 5.270 0.02 1 967 133 103 TYR HB2 H 3.040 0.02 2 968 133 103 TYR HB3 H 2.520 0.02 2 969 133 103 TYR HD1 H 6.785 0.02 3 970 133 103 TYR HE1 H 6.630 0.02 3 971 133 103 TYR CA C 55.770 0.2 1 972 133 103 TYR CB C 41.200 0.2 1 973 133 103 TYR CD1 C 132.300 0.2 3 974 133 103 TYR CE1 C 117.200 0.2 3 975 133 103 TYR N N 126.951 0.1 1 976 134 104 ARG H H 8.947 0.02 1 977 134 104 ARG HA H 4.474 0.02 1 978 134 104 ARG HB2 H 1.710 0.02 2 979 134 104 ARG HB3 H 1.520 0.02 2 980 134 104 ARG HG2 H 1.236 0.02 2 981 134 104 ARG CA C 54.641 0.2 1 982 134 104 ARG CB C 32.900 0.2 1 983 134 104 ARG CG C 26.200 0.2 1 984 134 104 ARG CD C 42.200 0.2 1 985 134 104 ARG N N 120.461 0.1 1 986 135 105 LYS H H 9.550 0.02 1 987 135 105 LYS HA H 3.798 0.02 1 988 135 105 LYS HB2 H 1.968 0.02 2 989 135 105 LYS HB3 H 1.790 0.02 2 990 135 105 LYS HG2 H 1.335 0.02 2 991 135 105 LYS CA C 56.808 0.2 1 992 135 105 LYS CB C 29.600 0.2 1 993 135 105 LYS CG C 24.900 0.2 1 994 135 105 LYS CD C 28.700 0.2 1 995 135 105 LYS CE C 41.500 0.2 1 996 135 105 LYS N N 127.700 0.1 1 997 136 106 GLY H H 8.759 0.02 1 998 136 106 GLY HA2 H 4.150 0.02 2 999 136 106 GLY HA3 H 3.560 0.02 2 1000 136 106 GLY CA C 44.700 0.2 1 1001 136 106 GLY N N 103.820 0.1 1 1002 137 107 VAL H H 7.816 0.02 1 1003 137 107 VAL HA H 4.263 0.02 1 1004 137 107 VAL HB H 2.050 0.02 1 1005 137 107 VAL HG1 H 0.880 0.02 2 1006 137 107 VAL HG2 H 0.850 0.02 2 1007 137 107 VAL CA C 60.394 0.2 1 1008 137 107 VAL CB C 33.600 0.2 1 1009 137 107 VAL CG1 C 20.250 0.2 1 1010 137 107 VAL CG2 C 20.500 0.2 1 1011 137 107 VAL N N 121.315 0.1 1 1012 138 108 LYS H H 8.715 0.02 1 1013 138 108 LYS HA H 3.600 0.02 1 1014 138 108 LYS HB2 H 1.581 0.02 2 1015 138 108 LYS HB3 H 1.321 0.02 2 1016 138 108 LYS HG2 H 0.900 0.02 2 1017 138 108 LYS HG3 H 0.870 0.02 2 1018 138 108 LYS HD2 H 1.432 0.02 2 1019 138 108 LYS CA C 56.560 0.2 1 1020 138 108 LYS CB C 30.800 0.2 1 1021 138 108 LYS CG C 23.800 0.2 1 1022 138 108 LYS CD C 28.620 0.2 1 1023 138 108 LYS N N 127.928 0.1 1 1024 139 109 ILE H H 8.942 0.02 1 1025 139 109 ILE HA H 4.405 0.02 1 1026 139 109 ILE HB H 1.948 0.02 1 1027 139 109 ILE HG12 H 1.185 0.02 1 1028 139 109 ILE HG13 H 0.972 0.02 1 1029 139 109 ILE HG2 H 0.915 0.02 1 1030 139 109 ILE HD1 H 0.923 0.02 1 1031 139 109 ILE CA C 60.330 0.2 1 1032 139 109 ILE CB C 38.700 0.2 1 1033 139 109 ILE CG1 C 26.270 0.2 1 1034 139 109 ILE CG2 C 17.530 0.2 1 1035 139 109 ILE CD1 C 13.350 0.2 1 1036 139 109 ILE N N 123.581 0.1 1 1037 140 110 ASP H H 7.560 0.02 1 1038 140 110 ASP HA H 4.720 0.02 1 1039 140 110 ASP HB2 H 2.610 0.02 2 1040 140 110 ASP HB3 H 2.330 0.02 2 1041 140 110 ASP CA C 53.800 0.2 1 1042 140 110 ASP CB C 44.100 0.2 1 1043 140 110 ASP N N 118.971 0.1 1 1044 141 111 LYS H H 8.036 0.02 1 1045 141 111 LYS HA H 4.843 0.02 1 1046 141 111 LYS HB2 H 1.398 0.02 2 1047 141 111 LYS HB3 H 1.398 0.02 2 1048 141 111 LYS HG2 H 0.750 0.02 2 1049 141 111 LYS HG3 H 0.660 0.02 2 1050 141 111 LYS HD2 H 1.300 0.02 2 1051 141 111 LYS HD3 H 1.310 0.02 2 1052 141 111 LYS CA C 55.222 0.2 1 1053 141 111 LYS CB C 34.240 0.2 1 1054 141 111 LYS CG C 23.200 0.2 1 1055 141 111 LYS CD C 28.900 0.2 1 1056 141 111 LYS CE C 41.150 0.2 1 1057 141 111 LYS N N 122.611 0.1 1 1058 142 112 THR H H 8.574 0.02 1 1059 142 112 THR HA H 4.307 0.02 1 1060 142 112 THR HB H 3.615 0.02 1 1061 142 112 THR HG2 H 0.702 0.02 1 1062 142 112 THR CA C 60.950 0.2 1 1063 142 112 THR CB C 71.100 0.2 1 1064 142 112 THR CG2 C 21.070 0.2 1 1065 142 112 THR N N 120.546 0.1 1 1066 143 113 ASP H H 7.901 0.02 1 1067 143 113 ASP HA H 4.979 0.02 1 1068 143 113 ASP HB2 H 2.269 0.02 2 1069 143 113 ASP HB3 H 2.292 0.02 2 1070 143 113 ASP CA C 51.749 0.2 1 1071 143 113 ASP CB C 42.270 0.2 1 1072 143 113 ASP N N 123.211 0.1 1 1073 144 114 TYR H H 9.224 0.02 1 1074 144 114 TYR HA H 4.838 0.02 1 1075 144 114 TYR HB2 H 3.010 0.02 2 1076 144 114 TYR HB3 H 3.210 0.02 2 1077 144 114 TYR HD2 H 7.320 0.02 3 1078 144 114 TYR HE2 H 6.770 0.02 3 1079 144 114 TYR CA C 56.036 0.2 1 1080 144 114 TYR CB C 40.550 0.2 1 1081 144 114 TYR CD2 C 133.100 0.2 3 1082 144 114 TYR CE2 C 117.400 0.2 3 1083 144 114 TYR N N 119.934 0.1 1 1084 145 115 MET H H 8.844 0.02 1 1085 145 115 MET HA H 4.410 0.02 1 1086 145 115 MET HB2 H 2.550 0.02 2 1087 145 115 MET HB3 H 2.570 0.02 2 1088 145 115 MET HG2 H 2.060 0.02 2 1089 145 115 MET HG3 H 2.050 0.02 2 1090 145 115 MET HE H 1.994 0.02 1 1091 145 115 MET CA C 54.877 0.2 1 1092 145 115 MET CB C 31.200 0.2 1 1093 145 115 MET CG C 30.400 0.2 1 1094 145 115 MET CE C 15.925 0.2 1 1095 145 115 MET N N 123.277 0.1 1 1096 146 116 VAL H H 8.501 0.02 1 1097 146 116 VAL HA H 3.670 0.02 1 1098 146 116 VAL HB H 1.270 0.02 1 1099 146 116 VAL HG1 H -0.200 0.02 2 1100 146 116 VAL HG2 H 0.630 0.02 2 1101 146 116 VAL CA C 63.000 0.2 1 1102 146 116 VAL CB C 31.190 0.2 1 1103 146 116 VAL CG1 C 20.000 0.2 1 1104 146 116 VAL CG2 C 20.100 0.2 1 1105 146 116 VAL N N 128.647 0.1 1 1106 147 117 GLY H H 7.662 0.02 1 1107 147 117 GLY HA2 H 3.731 0.02 2 1108 147 117 GLY HA3 H 4.580 0.02 2 1109 147 117 GLY CA C 43.900 0.2 1 1110 147 117 GLY N N 107.047 0.1 1 1111 148 118 SER H H 7.957 0.02 1 1112 148 118 SER HA H 5.400 0.02 1 1113 148 118 SER HB2 H 3.650 0.02 2 1114 148 118 SER HB3 H 3.650 0.02 2 1115 148 118 SER CA C 56.500 0.2 1 1116 148 118 SER CB C 63.648 0.2 1 1117 148 118 SER N N 116.043 0.1 1 1118 149 119 TYR H H 8.223 0.02 1 1119 149 119 TYR HA H 4.468 0.02 1 1120 149 119 TYR HB2 H 2.630 0.02 2 1121 149 119 TYR HB3 H 2.330 0.02 2 1122 149 119 TYR HD1 H 6.189 0.02 3 1123 149 119 TYR HE1 H 6.435 0.02 3 1124 149 119 TYR CA C 57.218 0.2 1 1125 149 119 TYR CB C 43.400 0.2 1 1126 149 119 TYR CD1 C 132.417 0.2 3 1127 149 119 TYR CE1 C 116.693 0.2 3 1128 149 119 TYR N N 121.960 0.1 1 1129 150 120 GLY H H 8.493 0.02 1 1130 150 120 GLY HA2 H 4.540 0.02 2 1131 150 120 GLY HA3 H 3.830 0.02 2 1132 150 120 GLY CA C 42.700 0.2 1 1133 150 120 GLY N N 106.913 0.1 1 1134 151 121 PRO HA H 4.415 0.02 1 1135 151 121 PRO HB2 H 1.600 0.02 2 1136 151 121 PRO HB3 H 1.770 0.02 2 1137 151 121 PRO CA C 61.623 0.2 1 1138 151 121 PRO CB C 30.959 0.2 1 1139 152 122 ARG H H 8.209 0.02 1 1140 152 122 ARG HA H 4.500 0.02 1 1141 152 122 ARG HB2 H 1.850 0.02 2 1142 152 122 ARG HB3 H 2.070 0.02 2 1143 152 122 ARG HG2 H 1.630 0.02 2 1144 152 122 ARG HG3 H 1.630 0.02 2 1145 152 122 ARG CA C 55.440 0.2 1 1146 152 122 ARG CB C 31.700 0.2 1 1147 152 122 ARG CG C 23.900 0.2 1 1148 152 122 ARG CD C 43.500 0.2 1 1149 152 122 ARG N N 117.513 0.1 1 1150 153 123 ALA H H 8.752 0.02 1 1151 153 123 ALA HA H 4.079 0.02 1 1152 153 123 ALA HB H 1.342 0.02 1 1153 153 123 ALA CA C 54.307 0.2 1 1154 153 123 ALA CB C 18.000 0.2 1 1155 153 123 ALA N N 125.331 0.1 1 1156 154 124 GLU H H 7.950 0.02 1 1157 154 124 GLU HA H 4.115 0.02 1 1158 154 124 GLU HB2 H 1.670 0.02 2 1159 154 124 GLU HB3 H 1.720 0.02 2 1160 154 124 GLU HG2 H 2.310 0.02 2 1161 154 124 GLU HG3 H 2.100 0.02 2 1162 154 124 GLU CA C 56.090 0.2 1 1163 154 124 GLU CB C 28.700 0.2 1 1164 154 124 GLU CG C 35.650 0.2 1 1165 154 124 GLU N N 116.900 0.1 1 1166 155 125 GLU H H 8.649 0.02 1 1167 155 125 GLU HA H 3.771 0.02 1 1168 155 125 GLU HB2 H 1.670 0.02 2 1169 155 125 GLU HB3 H 1.790 0.02 2 1170 155 125 GLU HG2 H 2.010 0.02 2 1171 155 125 GLU CA C 56.510 0.2 1 1172 155 125 GLU CB C 29.500 0.2 1 1173 155 125 GLU CG C 36.000 0.2 1 1174 155 125 GLU N N 123.600 0.1 1 1175 156 126 TYR H H 8.915 0.02 1 1176 156 126 TYR HA H 4.349 0.02 1 1177 156 126 TYR HB2 H 2.046 0.02 2 1178 156 126 TYR HB3 H 0.650 0.02 2 1179 156 126 TYR CA C 56.400 0.2 1 1180 156 126 TYR CB C 40.300 0.2 1 1181 156 126 TYR N N 122.100 0.1 1 1182 157 127 GLU H H 8.117 0.02 1 1183 157 127 GLU HA H 5.100 0.02 1 1184 157 127 GLU HB2 H 1.709 0.02 2 1185 157 127 GLU HB3 H 1.600 0.02 2 1186 157 127 GLU HG2 H 1.971 0.02 2 1187 157 127 GLU HG3 H 1.971 0.02 2 1188 157 127 GLU CA C 53.719 0.2 1 1189 157 127 GLU CB C 32.500 0.2 1 1190 157 127 GLU CG C 35.170 0.2 1 1191 157 127 GLU N N 114.664 0.1 1 1192 158 128 PHE H H 9.211 0.02 1 1193 158 128 PHE HA H 4.942 0.02 1 1194 158 128 PHE HB2 H 3.314 0.02 2 1195 158 128 PHE HB3 H 2.842 0.02 2 1196 158 128 PHE HD2 H 7.150 0.02 3 1197 158 128 PHE CA C 55.948 0.2 1 1198 158 128 PHE CB C 41.870 0.2 1 1199 158 128 PHE CD2 C 131.500 0.2 3 1200 158 128 PHE N N 124.300 0.1 1 1201 159 129 LEU H H 7.673 0.02 1 1202 159 129 LEU HA H 5.192 0.02 1 1203 159 129 LEU HB2 H 1.256 0.02 2 1204 159 129 LEU HB3 H 1.256 0.02 2 1205 159 129 LEU HG H 1.347 0.02 1 1206 159 129 LEU HD1 H 0.690 0.02 2 1207 159 129 LEU HD2 H 0.660 0.02 2 1208 159 129 LEU CA C 52.420 0.2 1 1209 159 129 LEU CB C 44.000 0.2 1 1210 159 129 LEU CG C 27.280 0.2 1 1211 159 129 LEU CD1 C 24.500 0.2 1 1212 159 129 LEU CD2 C 25.000 0.2 1 1213 159 129 LEU N N 128.180 0.1 1 1214 160 130 THR H H 8.492 0.02 1 1215 160 130 THR HA H 3.820 0.02 1 1216 160 130 THR HB H 4.350 0.02 1 1217 160 130 THR HG2 H 0.910 0.02 1 1218 160 130 THR CA C 60.200 0.2 1 1219 160 130 THR CB C 67.400 0.2 1 1220 160 130 THR CG2 C 21.170 0.2 1 1221 160 130 THR N N 113.518 0.1 1 1222 161 131 PRO HA H 4.432 0.02 1 1223 161 131 PRO HB2 H 1.820 0.02 2 1224 161 131 PRO HB3 H 2.400 0.02 2 1225 161 131 PRO HG2 H 2.170 0.02 2 1226 161 131 PRO HG3 H 2.010 0.02 2 1227 161 131 PRO HD2 H 3.500 0.02 2 1228 161 131 PRO CA C 62.056 0.2 1 1229 161 131 PRO CB C 31.500 0.2 1 1230 161 131 PRO CG C 27.300 0.2 1 1231 161 131 PRO CD C 50.200 0.2 1 1232 162 132 VAL H H 8.083 0.02 1 1233 162 132 VAL HA H 3.699 0.02 1 1234 162 132 VAL HB H 1.755 0.02 1 1235 162 132 VAL HG1 H 0.783 0.02 2 1236 162 132 VAL HG2 H 0.850 0.02 2 1237 162 132 VAL CA C 63.289 0.2 1 1238 162 132 VAL CB C 31.300 0.2 1 1239 162 132 VAL CG1 C 20.754 0.2 1 1240 162 132 VAL CG2 C 21.300 0.2 1 1241 162 132 VAL N N 120.137 0.1 1 1242 163 133 GLU H H 8.757 0.02 1 1243 163 133 GLU HA H 4.501 0.02 1 1244 163 133 GLU HB2 H 1.040 0.02 2 1245 163 133 GLU HB3 H 1.580 0.02 2 1246 163 133 GLU HG2 H 2.000 0.02 2 1247 163 133 GLU HG3 H 1.930 0.02 2 1248 163 133 GLU CA C 53.170 0.2 1 1249 163 133 GLU CB C 31.960 0.2 1 1250 163 133 GLU CG C 33.700 0.2 1 1251 163 133 GLU N N 127.594 0.1 1 1252 164 134 GLU H H 8.267 0.02 1 1253 164 134 GLU HA H 4.860 0.02 1 1254 164 134 GLU HB2 H 1.780 0.02 2 1255 164 134 GLU HB3 H 1.710 0.02 2 1256 164 134 GLU HG2 H 2.071 0.02 2 1257 164 134 GLU HG3 H 2.071 0.02 2 1258 164 134 GLU CA C 53.740 0.2 1 1259 164 134 GLU CB C 31.280 0.2 1 1260 164 134 GLU CG C 36.077 0.2 1 1261 164 134 GLU N N 118.338 0.1 1 1262 165 135 ALA H H 9.170 0.02 1 1263 165 135 ALA HA H 4.570 0.02 1 1264 165 135 ALA HB H 1.377 0.02 1 1265 165 135 ALA CA C 49.900 0.2 1 1266 165 135 ALA CB C 16.400 0.2 1 1267 165 135 ALA N N 129.400 0.1 1 1268 166 136 PRO HA H 4.309 0.02 1 1269 166 136 PRO HB2 H 1.719 0.02 2 1270 166 136 PRO HB3 H 2.271 0.02 2 1271 166 136 PRO HG2 H 1.830 0.02 2 1272 166 136 PRO HG3 H 1.530 0.02 2 1273 166 136 PRO HD2 H 3.770 0.02 2 1274 166 136 PRO HD3 H 3.150 0.02 2 1275 166 136 PRO CA C 62.280 0.2 1 1276 166 136 PRO CB C 32.533 0.2 1 1277 166 136 PRO CG C 26.800 0.2 1 1278 166 136 PRO CD C 49.100 0.2 1 1279 167 137 LYS H H 8.035 0.02 1 1280 167 137 LYS HA H 4.648 0.02 1 1281 167 137 LYS HB2 H 1.431 0.02 2 1282 167 137 LYS HB3 H 1.460 0.02 2 1283 167 137 LYS HG2 H 1.280 0.02 2 1284 167 137 LYS HG3 H 1.118 0.02 2 1285 167 137 LYS HD2 H 1.550 0.02 2 1286 167 137 LYS CA C 54.624 0.2 1 1287 167 137 LYS CB C 36.064 0.2 1 1288 167 137 LYS CG C 22.900 0.2 1 1289 167 137 LYS CD C 29.170 0.2 1 1290 167 137 LYS CE C 41.500 0.2 1 1291 167 137 LYS N N 114.710 0.1 1 1292 168 138 GLY H H 8.382 0.02 1 1293 168 138 GLY HA2 H 3.640 0.02 2 1294 168 138 GLY HA3 H 4.454 0.02 2 1295 168 138 GLY CA C 43.000 0.2 1 1296 168 138 GLY N N 110.938 0.1 1 1297 169 139 MET H H 8.536 0.02 1 1298 169 139 MET HA H 3.790 0.02 1 1299 169 139 MET HB2 H 2.030 0.02 2 1300 169 139 MET HB3 H 2.040 0.02 2 1301 169 139 MET HG2 H 2.530 0.02 2 1302 169 139 MET HG3 H 2.529 0.02 2 1303 169 139 MET HE H 2.045 0.02 1 1304 169 139 MET CA C 58.690 0.2 1 1305 169 139 MET CB C 32.070 0.2 1 1306 169 139 MET CG C 31.020 0.2 1 1307 169 139 MET CE C 16.424 0.2 1 1308 169 139 MET N N 119.157 0.1 1 1309 170 140 LEU H H 8.381 0.02 1 1310 170 140 LEU HA H 4.160 0.02 1 1311 170 140 LEU HB2 H 1.640 0.02 2 1312 170 140 LEU HB3 H 1.580 0.02 2 1313 170 140 LEU HG H 1.628 0.02 1 1314 170 140 LEU HD1 H 0.790 0.02 2 1315 170 140 LEU HD2 H 0.840 0.02 2 1316 170 140 LEU CA C 55.580 0.2 1 1317 170 140 LEU CB C 40.500 0.2 1 1318 170 140 LEU CG C 26.500 0.2 1 1319 170 140 LEU CD1 C 22.170 0.2 1 1320 170 140 LEU CD2 C 24.374 0.2 1 1321 170 140 LEU N N 116.540 0.1 1 1322 171 141 ALA H H 7.448 0.02 1 1323 171 141 ALA HA H 4.198 0.02 1 1324 171 141 ALA HB H 1.223 0.02 1 1325 171 141 ALA CA C 51.254 0.2 1 1326 171 141 ALA CB C 19.930 0.2 1 1327 171 141 ALA N N 119.880 0.1 1 1328 172 142 ARG H H 7.085 0.02 1 1329 172 142 ARG HA H 3.943 0.02 1 1330 172 142 ARG HB2 H 1.680 0.02 2 1331 172 142 ARG HD2 H 3.920 0.02 2 1332 172 142 ARG HD3 H 3.920 0.02 2 1333 172 142 ARG CA C 57.080 0.2 1 1334 172 142 ARG CB C 30.400 0.2 1 1335 172 142 ARG CD C 40.300 0.2 1 1336 172 142 ARG N N 118.073 0.1 1 1337 173 143 GLY H H 8.957 0.02 1 1338 173 143 GLY HA2 H 3.750 0.02 2 1339 173 143 GLY HA3 H 4.590 0.02 2 1340 173 143 GLY CA C 43.380 0.2 1 1341 173 143 GLY N N 109.720 0.1 1 1342 174 144 SER H H 8.388 0.02 1 1343 174 144 SER HA H 5.187 0.02 1 1344 174 144 SER HB2 H 3.700 0.02 2 1345 174 144 SER HB3 H 3.820 0.02 2 1346 174 144 SER CA C 58.860 0.2 1 1347 174 144 SER CB C 64.000 0.2 1 1348 174 144 SER N N 115.337 0.1 1 1349 175 145 TYR H H 9.532 0.02 1 1350 175 145 TYR HA H 4.890 0.02 1 1351 175 145 TYR HB2 H 2.907 0.02 2 1352 175 145 TYR HB3 H 2.900 0.02 2 1353 175 145 TYR HD2 H 7.024 0.02 3 1354 175 145 TYR HE2 H 6.620 0.02 3 1355 175 145 TYR CA C 57.050 0.2 1 1356 175 145 TYR CB C 40.350 0.2 1 1357 175 145 TYR CD2 C 132.420 0.2 3 1358 175 145 TYR CE2 C 116.800 0.2 3 1359 175 145 TYR N N 126.350 0.1 1 1360 176 146 SER H H 8.877 0.02 1 1361 176 146 SER HA H 5.210 0.02 1 1362 176 146 SER HB2 H 3.667 0.02 2 1363 176 146 SER HB3 H 3.790 0.02 2 1364 176 146 SER CA C 56.600 0.2 1 1365 176 146 SER CB C 64.580 0.2 1 1366 176 146 SER N N 118.380 0.1 1 1367 177 147 ILE H H 9.124 0.02 1 1368 177 147 ILE HA H 4.803 0.02 1 1369 177 147 ILE HG12 H 0.583 0.02 1 1370 177 147 ILE HG13 H 0.246 0.02 1 1371 177 147 ILE HG2 H 0.470 0.02 1 1372 177 147 ILE HD1 H 0.000 0.02 1 1373 177 147 ILE CA C 59.060 0.2 1 1374 177 147 ILE CB C 37.000 0.2 1 1375 177 147 ILE CG1 C 26.700 0.2 1 1376 177 147 ILE CG2 C 18.700 0.2 1 1377 177 147 ILE CD1 C 11.450 0.2 1 1378 177 147 ILE N N 126.867 0.1 1 1379 178 148 LYS H H 9.012 0.02 1 1380 178 148 LYS HA H 4.851 0.02 1 1381 178 148 LYS HB2 H 1.891 0.02 2 1382 178 148 LYS HB3 H 1.840 0.02 2 1383 178 148 LYS CA C 54.880 0.2 1 1384 178 148 LYS CB C 33.200 0.2 1 1385 178 148 LYS N N 124.506 0.1 1 1386 179 149 SER H H 8.880 0.02 1 1387 179 149 SER HA H 5.047 0.02 1 1388 179 149 SER HB2 H 3.330 0.02 2 1389 179 149 SER HB3 H 2.720 0.02 2 1390 179 149 SER CA C 58.600 0.2 1 1391 179 149 SER CB C 65.300 0.2 1 1392 179 149 SER N N 123.968 0.1 1 1393 180 150 ARG H H 8.741 0.02 1 1394 180 150 ARG HA H 5.240 0.02 1 1395 180 150 ARG HB2 H 1.760 0.02 2 1396 180 150 ARG HB3 H 1.750 0.02 2 1397 180 150 ARG HG2 H 1.570 0.02 2 1398 180 150 ARG HG3 H 1.450 0.02 2 1399 180 150 ARG HD2 H 3.300 0.02 2 1400 180 150 ARG CA C 54.917 0.2 1 1401 180 150 ARG CB C 33.721 0.2 1 1402 180 150 ARG CG C 26.700 0.2 1 1403 180 150 ARG CD C 43.200 0.2 1 1404 180 150 ARG N N 121.544 0.1 1 1405 181 151 PHE H H 9.155 0.02 1 1406 181 151 PHE HA H 5.784 0.02 1 1407 181 151 PHE HB2 H 3.520 0.02 2 1408 181 151 PHE HB3 H 3.120 0.02 2 1409 181 151 PHE CA C 56.000 0.2 1 1410 181 151 PHE CB C 42.500 0.2 1 1411 181 151 PHE N N 126.800 0.1 1 1412 182 152 THR H H 9.023 0.02 1 1413 182 152 THR HA H 5.500 0.02 1 1414 182 152 THR HB H 3.940 0.02 1 1415 182 152 THR HG2 H 1.039 0.02 1 1416 182 152 THR CA C 57.900 0.2 1 1417 182 152 THR CB C 70.300 0.2 1 1418 182 152 THR CG2 C 17.230 0.2 1 1419 182 152 THR N N 123.178 0.1 1 1420 183 153 ASP H H 8.734 0.02 1 1421 183 153 ASP HA H 5.165 0.02 1 1422 183 153 ASP HB2 H 3.299 0.02 2 1423 183 153 ASP CA C 52.970 0.2 1 1424 183 153 ASP CB C 42.100 0.2 1 1425 183 153 ASP N N 121.186 0.1 1 1426 184 154 ASP HA H 4.491 0.02 1 1427 184 154 ASP HB2 H 2.580 0.02 2 1428 184 154 ASP HB3 H 2.800 0.02 2 1429 184 154 ASP CA C 56.574 0.2 1 1430 184 154 ASP CB C 40.600 0.2 1 1431 185 155 ASP H H 8.229 0.02 1 1432 185 155 ASP HA H 4.714 0.02 1 1433 185 155 ASP HB2 H 2.775 0.02 2 1434 185 155 ASP HB3 H 2.590 0.02 2 1435 185 155 ASP CA C 54.070 0.2 1 1436 185 155 ASP CB C 40.300 0.2 1 1437 185 155 ASP N N 119.509 0.1 1 1438 186 156 LYS H H 8.311 0.02 1 1439 186 156 LYS HA H 3.898 0.02 1 1440 186 156 LYS HB2 H 1.649 0.02 2 1441 186 156 LYS HG2 H 1.330 0.02 2 1442 186 156 LYS HG3 H 1.290 0.02 2 1443 186 156 LYS HD2 H 2.076 0.02 2 1444 186 156 LYS HD3 H 1.928 0.02 2 1445 186 156 LYS HE2 H 2.940 0.02 2 1446 186 156 LYS CA C 56.570 0.2 1 1447 186 156 LYS CB C 28.600 0.2 1 1448 186 156 LYS CG C 24.600 0.2 1 1449 186 156 LYS CD C 27.900 0.2 1 1450 186 156 LYS CE C 41.500 0.2 1 1451 186 156 LYS N N 114.480 0.1 1 1452 187 157 THR H H 7.883 0.02 1 1453 187 157 THR HA H 3.707 0.02 1 1454 187 157 THR HB H 3.312 0.02 1 1455 187 157 THR HG2 H 0.732 0.02 1 1456 187 157 THR CA C 62.922 0.2 1 1457 187 157 THR CB C 67.500 0.2 1 1458 187 157 THR CG2 C 21.840 0.2 1 1459 187 157 THR N N 118.184 0.1 1 1460 188 158 ASP H H 9.000 0.02 1 1461 188 158 ASP HA H 4.929 0.02 1 1462 188 158 ASP HB2 H 2.786 0.02 2 1463 188 158 ASP HB3 H 2.479 0.02 2 1464 188 158 ASP CA C 51.599 0.2 1 1465 188 158 ASP CB C 38.570 0.2 1 1466 188 158 ASP N N 129.266 0.1 1 1467 189 159 HIS H H 8.071 0.02 1 1468 189 159 HIS HA H 4.561 0.02 1 1469 189 159 HIS HB2 H 3.054 0.02 2 1470 189 159 HIS HB3 H 2.806 0.02 2 1471 189 159 HIS HD2 H 6.430 0.02 1 1472 189 159 HIS CA C 59.360 0.2 1 1473 189 159 HIS CB C 30.200 0.2 1 1474 189 159 HIS CD2 C 115.114 0.2 1 1475 189 159 HIS N N 124.660 0.1 1 1476 190 160 LEU H H 7.593 0.02 1 1477 190 160 LEU HA H 4.514 0.02 1 1478 190 160 LEU HB2 H 2.269 0.02 2 1479 190 160 LEU HG H 1.972 0.02 1 1480 190 160 LEU HD1 H 1.293 0.02 2 1481 190 160 LEU HD2 H 0.638 0.02 2 1482 190 160 LEU CA C 56.888 0.2 1 1483 190 160 LEU CB C 43.900 0.2 1 1484 190 160 LEU CG C 27.500 0.2 1 1485 190 160 LEU CD1 C 22.200 0.2 1 1486 190 160 LEU CD2 C 26.500 0.2 1 1487 190 160 LEU N N 114.840 0.1 1 1488 191 161 SER H H 8.312 0.02 1 1489 191 161 SER HA H 5.680 0.02 1 1490 191 161 SER HB2 H 3.939 0.02 2 1491 191 161 SER HB3 H 3.939 0.02 2 1492 191 161 SER CA C 57.686 0.2 1 1493 191 161 SER CB C 64.846 0.2 1 1494 191 161 SER N N 121.599 0.1 1 1495 192 162 TRP H H 9.127 0.02 1 1496 192 162 TRP HA H 5.289 0.02 1 1497 192 162 TRP HB2 H 3.549 0.02 2 1498 192 162 TRP HD1 H 6.840 0.02 1 1499 192 162 TRP HE1 H 7.277 0.02 1 1500 192 162 TRP HZ2 H 7.250 0.02 1 1501 192 162 TRP HZ3 H 6.950 0.02 1 1502 192 162 TRP HH2 H 6.980 0.02 1 1503 192 162 TRP CA C 56.910 0.2 1 1504 192 162 TRP CB C 31.620 0.2 1 1505 192 162 TRP CD1 C 125.850 0.2 1 1506 192 162 TRP CZ2 C 113.200 0.2 1 1507 192 162 TRP CZ3 C 119.000 0.2 1 1508 192 162 TRP CH2 C 122.900 0.2 1 1509 192 162 TRP N N 123.330 0.1 1 1510 192 162 TRP NE1 N 122.689 0.1 1 1511 193 163 GLU H H 8.315 0.02 1 1512 193 163 GLU HA H 5.770 0.02 1 1513 193 163 GLU HB2 H 2.050 0.02 2 1514 193 163 GLU HB3 H 1.990 0.02 2 1515 193 163 GLU HG2 H 2.170 0.02 2 1516 193 163 GLU HG3 H 2.280 0.02 2 1517 193 163 GLU CA C 54.030 0.2 1 1518 193 163 GLU CB C 32.900 0.2 1 1519 193 163 GLU CG C 36.000 0.2 1 1520 193 163 GLU N N 120.880 0.1 1 1521 194 164 TRP H H 9.070 0.02 1 1522 194 164 TRP HA H 4.983 0.02 1 1523 194 164 TRP HD1 H 6.725 0.02 1 1524 194 164 TRP HE1 H 9.984 0.02 1 1525 194 164 TRP HZ2 H 7.328 0.02 1 1526 194 164 TRP HZ3 H 6.980 0.02 1 1527 194 164 TRP HH2 H 6.980 0.02 1 1528 194 164 TRP CA C 54.482 0.2 1 1529 194 164 TRP CB C 28.500 0.2 1 1530 194 164 TRP CD1 C 126.200 0.2 1 1531 194 164 TRP CZ2 C 114.180 0.2 1 1532 194 164 TRP CZ3 C 119.100 0.2 1 1533 194 164 TRP CH2 C 122.900 0.2 1 1534 194 164 TRP N N 120.695 0.1 1 1535 194 164 TRP NE1 N 130.206 0.1 1 1536 195 165 ASN HA H 5.670 0.02 1 1537 195 165 ASN HB2 H 2.690 0.02 2 1538 195 165 ASN HB3 H 2.690 0.02 2 1539 195 165 ASN CA C 52.400 0.2 1 1540 195 165 ASN CB C 42.170 0.2 1 1541 196 166 LEU H H 8.690 0.02 1 1542 196 166 LEU HA H 5.231 0.02 1 1543 196 166 LEU HB2 H 1.450 0.02 2 1544 196 166 LEU HB3 H 1.480 0.02 2 1545 196 166 LEU HG H 1.384 0.02 1 1546 196 166 LEU HD1 H 0.690 0.02 2 1547 196 166 LEU HD2 H 0.760 0.02 2 1548 196 166 LEU CA C 53.050 0.2 1 1549 196 166 LEU CB C 46.905 0.2 1 1550 196 166 LEU CG C 26.299 0.2 1 1551 196 166 LEU CD1 C 23.900 0.2 1 1552 196 166 LEU CD2 C 24.600 0.2 1 1553 196 166 LEU N N 121.400 0.1 1 1554 197 167 THR H H 9.321 0.02 1 1555 197 167 THR HA H 4.959 0.02 1 1556 197 167 THR HB H 3.911 0.02 1 1557 197 167 THR HG2 H 1.044 0.02 1 1558 197 167 THR CA C 61.278 0.2 1 1559 197 167 THR CB C 70.000 0.2 1 1560 197 167 THR CG2 C 21.383 0.2 1 1561 197 167 THR N N 121.650 0.1 1 1562 198 168 ILE H H 9.141 0.02 1 1563 198 168 ILE HA H 4.981 0.02 1 1564 198 168 ILE HB H 2.290 0.02 1 1565 198 168 ILE HG12 H 1.490 0.02 1 1566 198 168 ILE HG13 H 1.147 0.02 1 1567 198 168 ILE HG2 H 0.744 0.02 1 1568 198 168 ILE HD1 H 0.556 0.02 1 1569 198 168 ILE CA C 57.536 0.2 1 1570 198 168 ILE CB C 35.600 0.2 1 1571 198 168 ILE CG1 C 27.200 0.2 1 1572 198 168 ILE CG2 C 16.800 0.2 1 1573 198 168 ILE CD1 C 10.550 0.2 1 1574 198 168 ILE N N 127.500 0.1 1 1575 199 169 LYS H H 8.142 0.02 1 1576 199 169 LYS HA H 4.705 0.02 1 1577 199 169 LYS HB2 H 2.014 0.02 2 1578 199 169 LYS HB3 H 1.615 0.02 2 1579 199 169 LYS HG2 H 1.299 0.02 2 1580 199 169 LYS HG3 H 1.299 0.02 2 1581 199 169 LYS HD2 H 1.630 0.02 2 1582 199 169 LYS CA C 53.786 0.2 1 1583 199 169 LYS CB C 36.530 0.2 1 1584 199 169 LYS CG C 25.500 0.2 1 1585 199 169 LYS CD C 28.500 0.2 1 1586 199 169 LYS N N 126.664 0.1 1 1587 200 170 LYS H H 8.815 0.02 1 1588 200 170 LYS HA H 3.761 0.02 1 1589 200 170 LYS HB2 H 1.670 0.02 2 1590 200 170 LYS HB3 H 1.630 0.02 2 1591 200 170 LYS HG2 H 1.334 0.02 2 1592 200 170 LYS HG3 H 1.334 0.02 2 1593 200 170 LYS HD2 H 1.615 0.02 2 1594 200 170 LYS HD3 H 1.615 0.02 2 1595 200 170 LYS HE2 H 2.950 0.02 2 1596 200 170 LYS HE3 H 2.920 0.02 2 1597 200 170 LYS CA C 58.517 0.2 1 1598 200 170 LYS CB C 32.143 0.2 1 1599 200 170 LYS CG C 24.070 0.2 1 1600 200 170 LYS CD C 28.800 0.2 1 1601 200 170 LYS CE C 41.400 0.2 1 1602 200 170 LYS N N 120.289 0.1 1 1603 201 171 ASP H H 7.481 0.02 1 1604 201 171 ASP HA H 4.407 0.02 1 1605 201 171 ASP HB2 H 2.787 0.02 2 1606 201 171 ASP HB3 H 2.530 0.02 2 1607 201 171 ASP CA C 51.228 0.2 1 1608 201 171 ASP CB C 44.100 0.2 1 1609 201 171 ASP N N 113.760 0.1 1 1610 202 172 TRP H H 8.167 0.02 1 1611 202 172 TRP HA H 4.058 0.02 1 1612 202 172 TRP HB2 H 3.410 0.02 2 1613 202 172 TRP HB3 H 3.020 0.02 2 1614 202 172 TRP HD1 H 7.464 0.02 1 1615 202 172 TRP HE1 H 10.283 0.02 1 1616 202 172 TRP HZ2 H 7.509 0.02 1 1617 202 172 TRP HH2 H 7.420 0.02 1 1618 202 172 TRP CA C 58.474 0.2 1 1619 202 172 TRP CB C 29.790 0.2 1 1620 202 172 TRP CD1 C 127.991 0.2 1 1621 202 172 TRP CZ2 C 115.420 0.2 1 1622 202 172 TRP CH2 C 122.700 0.2 1 1623 202 172 TRP N N 117.194 0.1 1 1624 202 172 TRP NE1 N 130.746 0.1 1 1625 203 173 LYS H H 7.676 0.02 1 1626 203 173 LYS HA H 4.516 0.02 1 1627 203 173 LYS HB2 H 1.917 0.02 2 1628 203 173 LYS HB3 H 1.775 0.02 2 1629 203 173 LYS HG2 H 1.431 0.02 2 1630 203 173 LYS HG3 H 1.431 0.02 2 1631 203 173 LYS HD2 H 1.678 0.02 2 1632 203 173 LYS HD3 H 1.678 0.02 2 1633 203 173 LYS CA C 54.351 0.2 1 1634 203 173 LYS CB C 33.517 0.2 1 1635 203 173 LYS CG C 23.739 0.2 1 1636 203 173 LYS CD C 28.400 0.2 1 1637 203 173 LYS CE C 41.200 0.2 1 1638 203 173 LYS N N 114.702 0.1 1 1639 204 174 ASP H H 7.817 0.02 1 1640 204 174 ASP HA H 4.323 0.02 1 1641 204 174 ASP HB2 H 2.490 0.02 2 1642 204 174 ASP HB3 H 2.670 0.02 2 1643 204 174 ASP CA C 55.729 0.2 1 1644 204 174 ASP CB C 41.653 0.2 1 1645 204 174 ASP N N 126.014 0.1 1 stop_ save_